(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide

C14H21N3O3S — CID 119296233

IUPAC(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-11(15)14(18)16-10-12-4-6-13(7-5-12)21(19,20)17-8-2-3-9-17/h4-7,11H,2-3,8-10,15H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyZPMCWLUDGOGFAX-LLVKDONJSA-N
MW311.41 g/mol
LogP0.43
Rot. Bonds5

About (2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide

(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide (PubChem CID 119296233) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
PubChem CID119296233
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-11(15)14(18)16-10-12-4-6-13(7-5-12)21(19,20)17-8-2-3-9-17/h4-7,11H,2-3,8-10,15H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyZPMCWLUDGOGFAX-LLVKDONJSA-N
XLogP0.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
2-methyl-3-(methylamino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119735907
2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 120667581
2-amino-2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 119272019
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 17248838
2-butylsulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55924390
(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 78977442
2-chloro-N-[1-oxo-1-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]propan-2-yl]benzamide
CID 55868135
2-(2,4-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 108736187
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
CID 119690168
benzyl N-[(2S)-3-methyl-1-oxo-1-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]butan-2-yl]carbamate
CID 55939341

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide (CID 119296233) is (2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide is C[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of (2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide?
The InChIKey is ZPMCWLUDGOGFAX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-11(15)14(18)16-10-12-4-6-13(7-5-12)21(19,20)17-8-2-3-9-17/h4-7,11H,2-3,8-10,15H2,1H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide?
(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide has a molecular weight of 311.41 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 119296233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).