N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide

C14H24N2O2S2 — CID 80528334

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide
SMILESCC(C)(CNS(=O)(=O)CC1CCCNC1)c1cccs1
InChIInChI=1S/C14H24N2O2S2/c1-14(2,13-6-4-8-19-13)11-16-20(17,18)10-12-5-3-7-15-9-12/h4,6,8,12,15-16H,3,5,7,9-11H2,1-2H3
InChIKeyBYXYBVNJOXMQDA-UHFFFAOYSA-N
MW316.49 g/mol
LogP1.94
Rot. Bonds6

About N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide

N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide (PubChem CID 80528334) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide
PubChem CID80528334
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide
SMILESCC(C)(CNS(=O)(=O)CC1CCCNC1)c1cccs1
InChIInChI=1S/C14H24N2O2S2/c1-14(2,13-6-4-8-19-13)11-16-20(17,18)10-12-5-3-7-15-9-12/h4,6,8,12,15-16H,3,5,7,9-11H2,1-2H3
InChIKeyBYXYBVNJOXMQDA-UHFFFAOYSA-N
XLogP1.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-3-yl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 55173705
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
1-piperidin-3-yl-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 54972057
N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119787657
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine
CID 115210503
N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 114111424
N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 54972407
N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527272
N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 82742611
1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide
CID 80526318
2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80526208

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide (CID 80528334) is N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide is CC(C)(CNS(=O)(=O)CC1CCCNC1)c1cccs1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is BYXYBVNJOXMQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-14(2,13-6-4-8-19-13)11-16-20(17,18)10-12-5-3-7-15-9-12/h4,6,8,12,15-16H,3,5,7,9-11H2,1-2H3.
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide?
N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 80528334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).