(3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride

C16H24ClN3O2S — CID 120766427

IUPAC(3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(S(=O)(=O)N2CC3CCC2C3)C[C@H]1c1ccccc1
InChIInChI=1S/C16H23N3O2S.ClH/c17-16-11-18(10-15(16)13-4-2-1-3-5-13)22(20,21)19-9-12-6-7-14(19)8-12;/h1-5,12,14-16H,6-11,17H2;1H/t12?,14?,15-,16+;/m0./s1
InChIKeyWVVMNKXTGRUZBD-MZUMASQXSA-N
MW357.91 g/mol
LogP1.56
Rot. Bonds3

About (3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride

(3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride (PubChem CID 120766427) has the molecular formula C16H24ClN3O2S and a molecular weight of 357.91 g/mol. Its IUPAC name is (3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride
PubChem CID120766427
Molecular FormulaC16H24ClN3O2S
Molecular Weight357.91 g/mol
Exact Mass357.13
IUPAC Name(3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(S(=O)(=O)N2CC3CCC2C3)C[C@H]1c1ccccc1
InChIInChI=1S/C16H23N3O2S.ClH/c17-16-11-18(10-15(16)13-4-2-1-3-5-13)22(20,21)19-9-12-6-7-14(19)8-12;/h1-5,12,14-16H,6-11,17H2;1H/t12?,14?,15-,16+;/m0./s1
InChIKeyWVVMNKXTGRUZBD-MZUMASQXSA-N
XLogP1.56
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride 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

(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine
CID 114263407
(3S,4R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120767094
(3S,4R)-3-amino-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide;hydrochloride
CID 120876883
(3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 120766936
(3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 120766691
(3S,4R)-1-(3,5-difluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120767014
(3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120767038
(3S,4R)-1-(3-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766465
(3S,4R)-1-(5-methylfuran-2-yl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766530
(3S,4R)-1-but-3-enylsulfonyl-4-phenylpyrrolidin-3-amine
CID 120766853
(3S,4R)-1-(2-bromo-3-methylphenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120767178
(3S,4R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4-phenylpyrrolidin-3-amine
CID 120767173

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride (CID 120766427) is (3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CN(S(=O)(=O)N2CC3CCC2C3)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride?
The InChIKey is WVVMNKXTGRUZBD-MZUMASQXSA-N. The full InChI is InChI=1S/C16H23N3O2S.ClH/c17-16-11-18(10-15(16)13-4-2-1-3-5-13)22(20,21)19-9-12-6-7-14(19)8-12;/h1-5,12,14-16H,6-11,17H2;1H/t12?,14?,15-,16+;/m0./s1.
What are the key properties of (3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride?
(3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride has a molecular weight of 357.91 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120766427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).