(3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide

C15H23N3O4S2 — CID 52522518

IUPAC(3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C)C2)s1
InChIInChI=1S/C15H23N3O4S2/c1-11(19)16-9-13-6-7-14(23-13)24(21,22)18-8-4-5-12(10-18)15(20)17(2)3/h6-7,12H,4-5,8-10H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyKLSIEQQTQUFNGP-LBPRGKRZSA-N
MW373.50 g/mol
LogP0.87
Rot. Bonds5

About (3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide

(3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 52522518) has the molecular formula C15H23N3O4S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide
PubChem CID52522518
Molecular FormulaC15H23N3O4S2
Molecular Weight373.50 g/mol
Exact Mass373.11
IUPAC Name(3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C)C2)s1
InChIInChI=1S/C15H23N3O4S2/c1-11(19)16-9-13-6-7-14(23-13)24(21,22)18-8-4-5-12(10-18)15(20)17(2)3/h6-7,12H,4-5,8-10H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyKLSIEQQTQUFNGP-LBPRGKRZSA-N
XLogP0.87
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 154774764
N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 124696448
N-[[5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 30963356
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N',3-dimethyl-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide
CID 111145532
N-[[5-(1,3-thiazolidin-3-ylsulfonyl)thiophen-2-yl]methyl]acetamide
CID 122332215
N-(2-aminoethyl)-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119971441
3-[methyl-[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119233258
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240
N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 60622079
N-[[5-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122340614
2-benzyl-1,1-dimethyl-3-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 111038621

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide (CID 52522518) is (3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide is CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C)C2)s1.
What is the InChIKey of (3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is KLSIEQQTQUFNGP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O4S2/c1-11(19)16-9-13-6-7-14(23-13)24(21,22)18-8-4-5-12(10-18)15(20)17(2)3/h6-7,12H,4-5,8-10H2,1-3H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide?
(3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 52522518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).