(1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide

C15H22N2O2S2 — CID 99837386

IUPAC(1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
SMILESCc1nc(CN2[C@H]3C[C@H]4CC[C@@]3(CS2(=O)=O)C4(C)C)cs1
InChIInChI=1S/C15H22N2O2S2/c1-10-16-12(8-20-10)7-17-13-6-11-4-5-15(13,14(11,2)3)9-21(17,18)19/h8,11,13H,4-7,9H2,1-3H3/t11-,13+,15+/m1/s1
InChIKeyWOIGNGMXDFHGKD-ZLDLUXBVSA-N
MW326.49 g/mol
LogP2.79
Rot. Bonds2

About (1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide

(1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide (PubChem CID 99837386) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is (1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide.

Molecular Properties

Compound Name(1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
PubChem CID99837386
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC Name(1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
SMILESCc1nc(CN2[C@H]3C[C@H]4CC[C@@]3(CS2(=O)=O)C4(C)C)cs1
InChIInChI=1S/C15H22N2O2S2/c1-10-16-12(8-20-10)7-17-13-6-11-4-5-15(13,14(11,2)3)9-21(17,18)19/h8,11,13H,4-7,9H2,1-3H3/t11-,13+,15+/m1/s1
InChIKeyWOIGNGMXDFHGKD-ZLDLUXBVSA-N
XLogP2.79
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[(1R,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]methyl]phenyl]methanol
CID 110019056
3-[[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]methyl]benzonitrile
CID 91647821
4-[[2-[(1R,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 99782255
(1S,5R,7R)-10,10-dimethyl-4-[(R)-(4-methylphenyl)sulfinyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide
CID 11727932
2-[(5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]benzoic acid
CID 175687904
2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethynyl-trimethylsilane
CID 135008008
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966457
[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-(2-methoxyphenyl)methanone
CID 146144805
N-ethyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55107201
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]but-2-en-1-one
CID 138113678
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680

Frequently Asked Questions

What is the IUPAC name of (1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide?
The IUPAC name of (1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide (CID 99837386) is (1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide.
What is the SMILES notation for (1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide?
The canonical SMILES for (1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide is Cc1nc(CN2[C@H]3C[C@H]4CC[C@@]3(CS2(=O)=O)C4(C)C)cs1.
What is the InChIKey of (1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide?
The InChIKey is WOIGNGMXDFHGKD-ZLDLUXBVSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-10-16-12(8-20-10)7-17-13-6-11-4-5-15(13,14(11,2)3)9-21(17,18)19/h8,11,13H,4-7,9H2,1-3H3/t11-,13+,15+/m1/s1.
What are the key properties of (1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide?
(1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide has a molecular weight of 326.49 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,7R)-10,10-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane 3,3-dioxide is sourced from PubChem (CID 99837386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).