N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C17H28N2O3S2 — CID 55602177

IUPACN-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)CN(C(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)C(C)C
InChIInChI=1S/C17H28N2O3S2/c1-13(2)11-19(14(3)4)17(20)15-7-5-9-18(12-15)24(21,22)16-8-6-10-23-16/h6,8,10,13-15H,5,7,9,11-12H2,1-4H3
InChIKeyWVPMCVMDRUSLFM-UHFFFAOYSA-N
MW372.56 g/mol
LogP3.04
Rot. Bonds6

About N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 55602177) has the molecular formula C17H28N2O3S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID55602177
Molecular FormulaC17H28N2O3S2
Molecular Weight372.56 g/mol
Exact Mass372.15
IUPAC NameN-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)CN(C(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)C(C)C
InChIInChI=1S/C17H28N2O3S2/c1-13(2)11-19(14(3)4)17(20)15-7-5-9-18(12-15)24(21,22)16-8-6-10-23-16/h6,8,10,13-15H,5,7,9,11-12H2,1-4H3
InChIKeyWVPMCVMDRUSLFM-UHFFFAOYSA-N
XLogP3.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 134006152
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(3S)-N-[(1S)-3-methyl-1-phenylbutyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94012606
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55451031
(3R)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 39947737
(3R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9143984
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46616248
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 55602177) is N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CC(C)CN(C(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is WVPMCVMDRUSLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S2/c1-13(2)11-19(14(3)4)17(20)15-7-5-9-18(12-15)24(21,22)16-8-6-10-23-16/h6,8,10,13-15H,5,7,9,11-12H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 372.56 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55602177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).