(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide

C14H22N2O3S2 — CID 34827204

IUPAC(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C14H22N2O3S2/c1-3-8-15-14(17)12-5-4-9-16(10-12)21(18,19)13-7-6-11(2)20-13/h6-7,12H,3-5,8-10H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyGZNMAFOEEWMGBG-GFCCVEGCSA-N
MW330.48 g/mol
LogP1.98
Rot. Bonds5

About (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide

(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide (PubChem CID 34827204) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
PubChem CID34827204
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C14H22N2O3S2/c1-3-8-15-14(17)12-5-4-9-16(10-12)21(18,19)13-7-6-11(2)20-13/h6-7,12H,3-5,8-10H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyGZNMAFOEEWMGBG-GFCCVEGCSA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119509213
ethyl N-[2-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 56558739
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 25492914
N-[4-(4-methylpiperazin-1-yl)butyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55656566
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
N-[2-(2,6-dimethylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55717146
2,2-dimethyl-3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119250310
(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 38554962
1-(5-methylthiophen-2-yl)sulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 55526975
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119996944
N-(3-imidazol-1-ylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 134057571

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide (CID 34827204) is (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1.
What is the InChIKey of (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide?
The InChIKey is GZNMAFOEEWMGBG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-3-8-15-14(17)12-5-4-9-16(10-12)21(18,19)13-7-6-11(2)20-13/h6-7,12H,3-5,8-10H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide?
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 34827204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).