(3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide

C14H23N3O2S — CID 120767038

IUPAC(3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C14H23N3O2S/c1-11(2)16(3)20(18,19)17-9-13(14(15)10-17)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,15H2,1-3H3/t13-,14+/m0/s1
InChIKeyNVLJXSYDFPEESV-UONOGXRCSA-N
MW297.42 g/mol
LogP1.00
Rot. Bonds4

About (3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide

(3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide (PubChem CID 120767038) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is (3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide
PubChem CID120767038
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name(3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C14H23N3O2S/c1-11(2)16(3)20(18,19)17-9-13(14(15)10-17)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,15H2,1-3H3/t13-,14+/m0/s1
InChIKeyNVLJXSYDFPEESV-UONOGXRCSA-N
XLogP1.00
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-amino-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide;hydrochloride
CID 120876883
(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine
CID 114263407
(3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 120766881
(3S,4R)-1-(3,5-difluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120767014
(3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 120766936
(3S,4R)-1-but-3-enylsulfonyl-4-phenylpyrrolidin-3-amine
CID 120766853
(3S,4R)-4-phenyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidin-3-amine;hydrochloride
CID 120760546
(3S,4R)-1-(5-methylfuran-2-yl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766530
(3S,4R)-1-(4-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 90406705
(3S,4R)-4-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine
CID 120767028
(3S,4R)-1-(2-methylpyrazol-3-yl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120766460
(3S,4R)-1-(3-methylthiophen-2-yl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120767063

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The IUPAC name of (3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide (CID 120767038) is (3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide is CC(C)N(C)S(=O)(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of (3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The InChIKey is NVLJXSYDFPEESV-UONOGXRCSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11(2)16(3)20(18,19)17-9-13(14(15)10-17)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,15H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
(3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 120767038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).