(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C14H23N3O3S2 — CID 95273287

IUPAC(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESC[C@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)N(C)C
InChIInChI=1S/C14H23N3O3S2/c1-11(16(2)3)10-15-14(18)12-6-4-8-17(12)22(19,20)13-7-5-9-21-13/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,15,18)/t11-,12+/m1/s1
InChIKeySGRPUXIWBGNKFY-NEPJUHHUSA-N
MW345.49 g/mol
LogP0.97
Rot. Bonds6

About (2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 95273287) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID95273287
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC Name(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESC[C@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)N(C)C
InChIInChI=1S/C14H23N3O3S2/c1-11(16(2)3)10-15-14(18)12-6-4-8-17(12)22(19,20)13-7-5-9-21-13/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,15,18)/t11-,12+/m1/s1
InChIKeySGRPUXIWBGNKFY-NEPJUHHUSA-N
XLogP0.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799718
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 71684075
N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119405132
(2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid
CID 119363680
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341686
N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341707
N-(2-methyl-6-propan-2-ylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341696
(2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95595336
N-(1-aminohexan-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119665150
(2R)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 52512502

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 95273287) is (2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is C[C@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)N(C)C.
What is the InChIKey of (2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is SGRPUXIWBGNKFY-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-11(16(2)3)10-15-14(18)12-6-4-8-17(12)22(19,20)13-7-5-9-21-13/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,15,18)/t11-,12+/m1/s1.
What are the key properties of (2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95273287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).