(3S)-1-(benzenesulfonyl)pyrrolidin-3-amine

C10H14N2O2S — CID 94075007

IUPAC(3S)-1-(benzenesulfonyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C10H14N2O2S/c11-9-6-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,9H,6-8,11H2/t9-/m0/s1
InChIKeyABNRKDROCBKFEH-VIFPVBQESA-N
MW226.30 g/mol
LogP0.41
Rot. Bonds2

About (3S)-1-(benzenesulfonyl)pyrrolidin-3-amine

(3S)-1-(benzenesulfonyl)pyrrolidin-3-amine (PubChem CID 94075007) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is (3S)-1-(benzenesulfonyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(benzenesulfonyl)pyrrolidin-3-amine
PubChem CID94075007
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name(3S)-1-(benzenesulfonyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C10H14N2O2S/c11-9-6-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,9H,6-8,11H2/t9-/m0/s1
InChIKeyABNRKDROCBKFEH-VIFPVBQESA-N
XLogP0.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(benzenesulfonyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(benzenesulfonyl)pyrrolidin-3-amine (CID 94075007) is (3S)-1-(benzenesulfonyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(benzenesulfonyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(benzenesulfonyl)pyrrolidin-3-amine is N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3S)-1-(benzenesulfonyl)pyrrolidin-3-amine?
The InChIKey is ABNRKDROCBKFEH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-9-6-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,9H,6-8,11H2/t9-/m0/s1.
What are the key properties of (3S)-1-(benzenesulfonyl)pyrrolidin-3-amine?
(3S)-1-(benzenesulfonyl)pyrrolidin-3-amine has a molecular weight of 226.30 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(benzenesulfonyl)pyrrolidin-3-amine is sourced from PubChem (CID 94075007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).