(3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride

C14H17ClN2O2S2 — CID 120766691

IUPAC(3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(S(=O)(=O)c2cccs2)C[C@H]1c1ccccc1
InChIInChI=1S/C14H16N2O2S2.ClH/c15-13-10-16(20(17,18)14-7-4-8-19-14)9-12(13)11-5-2-1-3-6-11;/h1-8,12-13H,9-10,15H2;1H/t12-,13+;/m0./s1
InChIKeyKHFDNANFMOLIAW-JHEYCYPBSA-N
MW344.89 g/mol
LogP2.29
Rot. Bonds3

About (3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride

(3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 120766691) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID120766691
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC Name(3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(S(=O)(=O)c2cccs2)C[C@H]1c1ccccc1
InChIInChI=1S/C14H16N2O2S2.ClH/c15-13-10-16(20(17,18)14-7-4-8-19-14)9-12(13)11-5-2-1-3-6-11;/h1-8,12-13H,9-10,15H2;1H/t12-,13+;/m0./s1
InChIKeyKHFDNANFMOLIAW-JHEYCYPBSA-N
XLogP2.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-1-(3-methylthiophen-2-yl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120767063
(3S,4R)-1-(5-tert-butylthiophen-2-yl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766657
4-phenyl-1-[(4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]piperidine
CID 54340655
(3S,4R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4-phenylpyrrolidin-3-amine
CID 120767173
N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 120748005
1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
CID 25187118
methyl 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
CID 120767141
(3S,4R)-1-(3,5-difluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120767014
(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine
CID 114263407
(3S,4R)-1-(3-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766465
(3S,4R)-1-(4-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 90406705
(3S,4R)-1-(5-methylfuran-2-yl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766530

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride (CID 120766691) is (3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CN(S(=O)(=O)c2cccs2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is KHFDNANFMOLIAW-JHEYCYPBSA-N. The full InChI is InChI=1S/C14H16N2O2S2.ClH/c15-13-10-16(20(17,18)14-7-4-8-19-14)9-12(13)11-5-2-1-3-6-11;/h1-8,12-13H,9-10,15H2;1H/t12-,13+;/m0./s1.
What are the key properties of (3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride?
(3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120766691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).