N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide

C14H18N2O2S2 — CID 65450515

IUPACN-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)Nc1ccc2sccc2c1
InChIInChI=1S/C14H18N2O2S2/c17-20(18,10-13-3-1-2-7-15-13)16-12-4-5-14-11(9-12)6-8-19-14/h4-6,8-9,13,15-16H,1-3,7,10H2
InChIKeyCXKVQRPMXDHPDR-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.79
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide

N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 65450515) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID65450515
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)Nc1ccc2sccc2c1
InChIInChI=1S/C14H18N2O2S2/c17-20(18,10-13-3-1-2-7-15-13)16-12-4-5-14-11(9-12)6-8-19-14/h4-6,8-9,13,15-16H,1-3,7,10H2
InChIKeyCXKVQRPMXDHPDR-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide
CID 107806362
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide
CID 115378310
N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648
N-(1-benzothiophen-5-yl)propane-1-sulfonamide
CID 60705280
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292
N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107605719
N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973719
N-(3-methyl-1,2-oxazol-5-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973614
2-piperidin-2-yl-N-thiophen-3-ylethanesulfonamide
CID 66353750
1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide
CID 115071249
N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide
CID 55476960

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide (CID 65450515) is N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCCN1)Nc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is CXKVQRPMXDHPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c17-20(18,10-13-3-1-2-7-15-13)16-12-4-5-14-11(9-12)6-8-19-14/h4-6,8-9,13,15-16H,1-3,7,10H2.
What are the key properties of N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide?
N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 65450515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).