(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

C15H25N3O2S — CID 95780808

IUPAC(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCC(C)S(=O)(=O)N1CC[C@H](NCc2ccncc2)[C@H](C)C1
InChIInChI=1S/C15H25N3O2S/c1-12(2)21(19,20)18-9-6-15(13(3)11-18)17-10-14-4-7-16-8-5-14/h4-5,7-8,12-13,15,17H,6,9-11H2,1-3H3/t13-,15+/m1/s1
InChIKeyWLZZYXYOCXPUFV-HIFRSBDPSA-N
MW311.45 g/mol
LogP1.62
Rot. Bonds5

About (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 95780808) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID95780808
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCC(C)S(=O)(=O)N1CC[C@H](NCc2ccncc2)[C@H](C)C1
InChIInChI=1S/C15H25N3O2S/c1-12(2)21(19,20)18-9-6-15(13(3)11-18)17-10-14-4-7-16-8-5-14/h4-5,7-8,12-13,15,17H,6,9-11H2,1-3H3/t13-,15+/m1/s1
InChIKeyWLZZYXYOCXPUFV-HIFRSBDPSA-N
XLogP1.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (CID 95780808) is (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is CC(C)S(=O)(=O)N1CC[C@H](NCc2ccncc2)[C@H](C)C1.
What is the InChIKey of (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is WLZZYXYOCXPUFV-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(2)21(19,20)18-9-6-15(13(3)11-18)17-10-14-4-7-16-8-5-14/h4-5,7-8,12-13,15,17H,6,9-11H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
(3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 311.45 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methyl-1-propan-2-ylsulfonyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 95780808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).