(6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide

C17H28N4O2S — CID 97494944

IUPAC(6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
SMILESCc1nc(CN2CCOC[C@]3(CCCN(C(=O)N(C)C)C3)C2)cs1
InChIInChI=1S/C17H28N4O2S/c1-14-18-15(10-24-14)9-20-7-8-23-13-17(11-20)5-4-6-21(12-17)16(22)19(2)3/h10H,4-9,11-13H2,1-3H3/t17-/m1/s1
InChIKeyLTBPVUJAJIIZAV-QGZVFWFLSA-N
MW352.50 g/mol
LogP2.05
Rot. Bonds2

About (6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide

(6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide (PubChem CID 97494944) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is (6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide.

Molecular Properties

Compound Name(6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
PubChem CID97494944
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name(6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
SMILESCc1nc(CN2CCOC[C@]3(CCCN(C(=O)N(C)C)C3)C2)cs1
InChIInChI=1S/C17H28N4O2S/c1-14-18-15(10-24-14)9-20-7-8-23-13-17(11-20)5-4-6-21(12-17)16(22)19(2)3/h10H,4-9,11-13H2,1-3H3/t17-/m1/s1
InChIKeyLTBPVUJAJIIZAV-QGZVFWFLSA-N
XLogP2.05
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide with MolForge

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Related Compounds

(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97482586
1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494995
11-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131651335
(6R)-11-ethyl-N,N-dimethyl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97372899
(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472144
2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472556
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134072920
(2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155879286
(2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 95845936
furan-2-yl-[(5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97483709
furan-2-yl-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 131649165
[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 110271141

Frequently Asked Questions

What is the IUPAC name of (6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?
The IUPAC name of (6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide (CID 97494944) is (6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide.
What is the SMILES notation for (6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?
The canonical SMILES for (6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide is Cc1nc(CN2CCOC[C@]3(CCCN(C(=O)N(C)C)C3)C2)cs1.
What is the InChIKey of (6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?
The InChIKey is LTBPVUJAJIIZAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-14-18-15(10-24-14)9-20-7-8-23-13-17(11-20)5-4-6-21(12-17)16(22)19(2)3/h10H,4-9,11-13H2,1-3H3/t17-/m1/s1.
What are the key properties of (6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?
(6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide is sourced from PubChem (CID 97494944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).