(2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide

C15H25N3O3S2 — CID 9492888

IUPAC(2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H25N3O3S2/c1-12(2)11-16-15(19)13(3)17-6-8-18(9-7-17)23(20,21)14-5-4-10-22-14/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyWJMFMVUPBWKESG-ZDUSSCGKSA-N
MW359.52 g/mol
LogP1.22
Rot. Bonds6

About (2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide

(2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide (PubChem CID 9492888) has the molecular formula C15H25N3O3S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is (2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
PubChem CID9492888
Molecular FormulaC15H25N3O3S2
Molecular Weight359.52 g/mol
Exact Mass359.13
IUPAC Name(2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H25N3O3S2/c1-12(2)11-16-15(19)13(3)17-6-8-18(9-7-17)23(20,21)14-5-4-10-22-14/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyWJMFMVUPBWKESG-ZDUSSCGKSA-N
XLogP1.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680288
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492975
(2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 2399708
N'-hydroxy-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanimidamide
CID 77012619
[2-(2-methylpropylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 7843761
(2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 8512379
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680298
(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 7832332
(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 98301626
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 40819018
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 8686697
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9493517

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
The IUPAC name of (2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide (CID 9492888) is (2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide is CC(C)CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
The InChIKey is WJMFMVUPBWKESG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O3S2/c1-12(2)11-16-15(19)13(3)17-6-8-18(9-7-17)23(20,21)14-5-4-10-22-14/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
(2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide has a molecular weight of 359.52 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide is sourced from PubChem (CID 9492888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).