(3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine

C16H25N3O2S — CID 72854703

IUPAC(3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine
SMILESCC1CCN(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H](N)C2)CC1
InChIInChI=1S/C16H25N3O2S/c1-13-7-9-18(10-8-13)22(20,21)19-11-15(16(17)12-19)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12,17H2,1H3/t15-,16+/m1/s1
InChIKeyWZWCCVZDQXZWCL-CVEARBPZSA-N
MW323.46 g/mol
LogP1.39
Rot. Bonds3

About (3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine

(3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine (PubChem CID 72854703) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine
PubChem CID72854703
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine
SMILESCC1CCN(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H](N)C2)CC1
InChIInChI=1S/C16H25N3O2S/c1-13-7-9-18(10-8-13)22(20,21)19-11-15(16(17)12-19)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12,17H2,1H3/t15-,16+/m1/s1
InChIKeyWZWCCVZDQXZWCL-CVEARBPZSA-N
XLogP1.39
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine (CID 72854703) is (3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine is CC1CCN(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H](N)C2)CC1.
What is the InChIKey of (3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine?
The InChIKey is WZWCCVZDQXZWCL-CVEARBPZSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-13-7-9-18(10-8-13)22(20,21)19-11-15(16(17)12-19)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12,17H2,1H3/t15-,16+/m1/s1.
What are the key properties of (3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine?
(3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine has a molecular weight of 323.46 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-methylpiperidin-1-yl)sulfonyl-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 72854703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).