3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide

C16H27N3O2S2 — CID 129325122

IUPAC3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN(Cc1ccsc1)[C@H]1CC12CCNCC2
InChIInChI=1S/C16H27N3O2S2/c1-17-23(20,21)10-2-8-19(12-14-3-9-22-13-14)15-11-16(15)4-6-18-7-5-16/h3,9,13,15,17-18H,2,4-8,10-12H2,1H3/t15-/m0/s1
InChIKeyWHYFKTMPWBYHPW-HNNXBMFYSA-N
MW357.55 g/mol
LogP1.63
Rot. Bonds8

About 3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide

3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide (PubChem CID 129325122) has the molecular formula C16H27N3O2S2 and a molecular weight of 357.55 g/mol. Its IUPAC name is 3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide
PubChem CID129325122
Molecular FormulaC16H27N3O2S2
Molecular Weight357.55 g/mol
Exact Mass357.15
IUPAC Name3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN(Cc1ccsc1)[C@H]1CC12CCNCC2
InChIInChI=1S/C16H27N3O2S2/c1-17-23(20,21)10-2-8-19(12-14-3-9-22-13-14)15-11-16(15)4-6-18-7-5-16/h3,9,13,15,17-18H,2,4-8,10-12H2,1H3/t15-/m0/s1
InChIKeyWHYFKTMPWBYHPW-HNNXBMFYSA-N
XLogP1.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide (CID 129325122) is 3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide is CNS(=O)(=O)CCCN(Cc1ccsc1)[C@H]1CC12CCNCC2.
What is the InChIKey of 3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide?
The InChIKey is WHYFKTMPWBYHPW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O2S2/c1-17-23(20,21)10-2-8-19(12-14-3-9-22-13-14)15-11-16(15)4-6-18-7-5-16/h3,9,13,15,17-18H,2,4-8,10-12H2,1H3/t15-/m0/s1.
What are the key properties of 3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide?
3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide has a molecular weight of 357.55 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-6-azaspiro[2.5]octan-2-yl]-(thiophen-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 129325122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).