2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine

C16H27N3O2S — CID 59003529

IUPAC2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine
SMILESCCCS(=O)(=O)N1CCC(c2ccccn2)(C(C)(C)N)CC1
InChIInChI=1S/C16H27N3O2S/c1-4-13-22(20,21)19-11-8-16(9-12-19,15(2,3)17)14-7-5-6-10-18-14/h5-7,10H,4,8-9,11-13,17H2,1-3H3
InChIKeyMVMHYOVJRMNPEG-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.89
Rot. Bonds5

About 2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine

2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine (PubChem CID 59003529) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine
PubChem CID59003529
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine
SMILESCCCS(=O)(=O)N1CCC(c2ccccn2)(C(C)(C)N)CC1
InChIInChI=1S/C16H27N3O2S/c1-4-13-22(20,21)19-11-8-16(9-12-19,15(2,3)17)14-7-5-6-10-18-14/h5-7,10H,4,8-9,11-13,17H2,1-3H3
InChIKeyMVMHYOVJRMNPEG-UHFFFAOYSA-N
XLogP1.89
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine?
The IUPAC name of 2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine (CID 59003529) is 2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine.
What is the SMILES notation for 2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine?
The canonical SMILES for 2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine is CCCS(=O)(=O)N1CCC(c2ccccn2)(C(C)(C)N)CC1.
What is the InChIKey of 2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine?
The InChIKey is MVMHYOVJRMNPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-4-13-22(20,21)19-11-8-16(9-12-19,15(2,3)17)14-7-5-6-10-18-14/h5-7,10H,4,8-9,11-13,17H2,1-3H3.
What are the key properties of 2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine?
2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine has a molecular weight of 325.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine is sourced from PubChem (CID 59003529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).