1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine

C15H25NO2S2 — CID 167148661

IUPAC1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine
SMILESCC[C@@H]([C@H](CC)S(=O)(=O)c1cccs1)N1CCCCC1
InChIInChI=1S/C15H25NO2S2/c1-3-13(16-10-6-5-7-11-16)14(4-2)20(17,18)15-9-8-12-19-15/h8-9,12-14H,3-7,10-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyYNCMJIDOHIVDRX-KBPBESRZSA-N
MW315.50 g/mol
LogP3.56
Rot. Bonds6

About 1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine

1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine (PubChem CID 167148661) has the molecular formula C15H25NO2S2 and a molecular weight of 315.50 g/mol. Its IUPAC name is 1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine.

Molecular Properties

Compound Name1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine
PubChem CID167148661
Molecular FormulaC15H25NO2S2
Molecular Weight315.50 g/mol
Exact Mass315.13
IUPAC Name1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine
SMILESCC[C@@H]([C@H](CC)S(=O)(=O)c1cccs1)N1CCCCC1
InChIInChI=1S/C15H25NO2S2/c1-3-13(16-10-6-5-7-11-16)14(4-2)20(17,18)15-9-8-12-19-15/h8-9,12-14H,3-7,10-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyYNCMJIDOHIVDRX-KBPBESRZSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-thiophen-2-ylsulfonylpiperidine
CID 765823
2-(1-ethylsulfonylethylsulfonyl)thiophene
CID 11651901
2-propan-2-ylsulfonylthiophene
CID 22953694
N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine
CID 117037755
2-(difluoromethylsulfonyl)thiophene
CID 82076235
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 112506471
N-(1-thiophen-2-ylpropyl)pyrrolidine-1-sulfonamide
CID 131924146
2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 110823252
2-(2-chloropropyl)-1-thiophen-2-ylsulfonylazepane
CID 112748624
3-thiophen-2-ylsulfonylbutan-2-amine
CID 64645795
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride
CID 20982714

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine?
The IUPAC name of 1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine (CID 167148661) is 1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine.
What is the SMILES notation for 1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine?
The canonical SMILES for 1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine is CC[C@@H]([C@H](CC)S(=O)(=O)c1cccs1)N1CCCCC1.
What is the InChIKey of 1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine?
The InChIKey is YNCMJIDOHIVDRX-KBPBESRZSA-N. The full InChI is InChI=1S/C15H25NO2S2/c1-3-13(16-10-6-5-7-11-16)14(4-2)20(17,18)15-9-8-12-19-15/h8-9,12-14H,3-7,10-11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine?
1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine has a molecular weight of 315.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-4-thiophen-2-ylsulfonylhexan-3-yl]piperidine is sourced from PubChem (CID 167148661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).