N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C15H24N2O3S2 — CID 27511485

IUPACN-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H24N2O3S2/c1-11(2)12(3)16-15(18)13-6-8-17(9-7-13)22(19,20)14-5-4-10-21-14/h4-5,10-13H,6-9H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeySPFDNDWKLAYXSF-LBPRGKRZSA-N
MW344.50 g/mol
LogP2.31
Rot. Bonds5

About N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 27511485) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID27511485
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H24N2O3S2/c1-11(2)12(3)16-15(18)13-6-8-17(9-7-13)22(19,20)14-5-4-10-21-14/h4-5,10-13H,6-9H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeySPFDNDWKLAYXSF-LBPRGKRZSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 17462186
N-[1-(4-chlorophenyl)-2-methylpropyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46693048
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 8750729
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26468180
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 28631738
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9141771
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55460831
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27883270
N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 94617755
(3R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9143984

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 27511485) is N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is SPFDNDWKLAYXSF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-11(2)12(3)16-15(18)13-6-8-17(9-7-13)22(19,20)14-5-4-10-21-14/h4-5,10-13H,6-9H2,1-3H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 27511485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).