(3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine

C14H20N2O2S — CID 72853116

IUPAC(3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine
SMILESN[C@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@@H]1C1CC1
InChIInChI=1S/C14H20N2O2S/c15-14-9-16(8-13(14)12-6-7-12)19(17,18)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2/t13-,14+/m1/s1
InChIKeySGPKXBTTXOZPMH-KGLIPLIRSA-N
MW280.39 g/mol
LogP1.19
Rot. Bonds4

About (3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine

(3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine (PubChem CID 72853116) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine
PubChem CID72853116
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine
SMILESN[C@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@@H]1C1CC1
InChIInChI=1S/C14H20N2O2S/c15-14-9-16(8-13(14)12-6-7-12)19(17,18)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2/t13-,14+/m1/s1
InChIKeySGPKXBTTXOZPMH-KGLIPLIRSA-N
XLogP1.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine (CID 72853116) is (3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine is N[C@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine?
The InChIKey is SGPKXBTTXOZPMH-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H20N2O2S/c15-14-9-16(8-13(14)12-6-7-12)19(17,18)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine?
(3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine has a molecular weight of 280.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzylsulfonyl-4-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 72853116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).