5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine

C12H18N2O2S2 — CID 65319002

IUPAC5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine
SMILESNc1csc(S(=O)(=O)N2CCCC3CCCC32)c1
InChIInChI=1S/C12H18N2O2S2/c13-10-7-12(17-8-10)18(15,16)14-6-2-4-9-3-1-5-11(9)14/h7-9,11H,1-6,13H2
InChIKeyDFJVNJQGBMFIMP-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.28
Rot. Bonds2

About 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine

5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine (PubChem CID 65319002) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine.

Molecular Properties

Compound Name5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine
PubChem CID65319002
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC Name5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine
SMILESNc1csc(S(=O)(=O)N2CCCC3CCCC32)c1
InChIInChI=1S/C12H18N2O2S2/c13-10-7-12(17-8-10)18(15,16)14-6-2-4-9-3-1-5-11(9)14/h7-9,11H,1-6,13H2
InChIKeyDFJVNJQGBMFIMP-UHFFFAOYSA-N
XLogP2.28
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine with MolForge

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Related Compounds

5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine
CID 63623700
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-4,5-dimethylaniline
CID 65319197
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-3-bromoaniline
CID 65319536
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 65319219
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-4-bromoaniline
CID 65207194
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 80578541
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-2-methylaniline
CID 65319145
4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61066624
1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 61298781
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-2-bromo-4-methylaniline
CID 114625833
1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 61299196
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-5-chloro-2-fluoroaniline
CID 103051660

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine?
The IUPAC name of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine (CID 65319002) is 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine.
What is the SMILES notation for 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine?
The canonical SMILES for 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine is Nc1csc(S(=O)(=O)N2CCCC3CCCC32)c1.
What is the InChIKey of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine?
The InChIKey is DFJVNJQGBMFIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c13-10-7-12(17-8-10)18(15,16)14-6-2-4-9-3-1-5-11(9)14/h7-9,11H,1-6,13H2.
What are the key properties of 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine?
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine has a molecular weight of 286.42 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine is sourced from PubChem (CID 65319002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).