trans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine

C15H20N2O3S2 — CID 96998546

IUPACtrans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESCN(Cc1csc(-c2ccoc2)n1)[C@H]1CCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C15H20N2O3S2/c1-17(13-4-3-5-14(13)22(2,18)19)8-12-10-21-15(16-12)11-6-7-20-9-11/h6-7,9-10,13-14H,3-5,8H2,1-2H3/t13-,14-/m0/s1
InChIKeyFGCGOTJZBVJXKC-KBPBESRZSA-N
MW340.47 g/mol
LogP2.80
Rot. Bonds5

About trans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine

trans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine (PubChem CID 96998546) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is trans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
PubChem CID96998546
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC Nametrans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESCN(Cc1csc(-c2ccoc2)n1)[C@H]1CCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C15H20N2O3S2/c1-17(13-4-3-5-14(13)22(2,18)19)8-12-10-21-15(16-12)11-6-7-20-9-11/h6-7,9-10,13-14H,3-5,8H2,1-2H3/t13-,14-/m0/s1
InChIKeyFGCGOTJZBVJXKC-KBPBESRZSA-N
XLogP2.80
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1S,2S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 124777375
1-cyclopropyl-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol
CID 111858753
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 109399692
4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole
CID 166559603
N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine
CID 126768185
[1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111753130
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 120817102
5-[[methyl-[(1R,2S)-2-methylsulfonylcyclohexyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 97003745
cis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 124777349
2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119194731
1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-2-methylpiperidin-3-one
CID 166256430
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 71983420

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine (CID 96998546) is trans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine is CN(Cc1csc(-c2ccoc2)n1)[C@H]1CCC[C@@H]1S(C)(=O)=O.
What is the InChIKey of trans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is FGCGOTJZBVJXKC-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-17(13-4-3-5-14(13)22(2,18)19)8-12-10-21-15(16-12)11-6-7-20-9-11/h6-7,9-10,13-14H,3-5,8H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
trans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 340.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 96998546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).