[4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine

C14H29N3O2S — CID 69325978

IUPAC[4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine
SMILESCCCS(=O)(=O)[C@@H]1CCCCN1C1(CN)CCNCC1
InChIInChI=1S/C14H29N3O2S/c1-2-11-20(18,19)13-5-3-4-10-17(13)14(12-15)6-8-16-9-7-14/h13,16H,2-12,15H2,1H3/t13-/m1/s1
InChIKeyKPXXVQPOKYRBMT-CYBMUJFWSA-N
MW303.47 g/mol
LogP0.70
Rot. Bonds5

About [4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine

[4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine (PubChem CID 69325978) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is [4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine
PubChem CID69325978
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name[4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine
SMILESCCCS(=O)(=O)[C@@H]1CCCCN1C1(CN)CCNCC1
InChIInChI=1S/C14H29N3O2S/c1-2-11-20(18,19)13-5-3-4-10-17(13)14(12-15)6-8-16-9-7-14/h13,16H,2-12,15H2,1H3/t13-/m1/s1
InChIKeyKPXXVQPOKYRBMT-CYBMUJFWSA-N
XLogP0.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine 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 [4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine?
The IUPAC name of [4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine (CID 69325978) is [4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine is CCCS(=O)(=O)[C@@H]1CCCCN1C1(CN)CCNCC1.
What is the InChIKey of [4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine?
The InChIKey is KPXXVQPOKYRBMT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-2-11-20(18,19)13-5-3-4-10-17(13)14(12-15)6-8-16-9-7-14/h13,16H,2-12,15H2,1H3/t13-/m1/s1.
What are the key properties of [4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine?
[4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine has a molecular weight of 303.47 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-propylsulfonylpiperidin-1-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 69325978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).