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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Related Compounds

4-tert-butyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688004
{4-[(2-Pyridin-3-ylpiperidin-1-yl)sulfonyl]phenyl}amine
CID 2770922
Ethanesulfonic acid [3-(1-phenyl-ethyl)-phenyl]-pyridin-3-ylmethyl-amide
CID 10249222
N-(3-(1-Phenylvinyl)phenyl)-N-(ethanesulfonyl)pyrid-3-ylmethylamine
CID 23521677
Ethanesulfonic acid [4-(1-phenyl-vinyl)-phenyl]-pyridin-3-ylmethyl-amide
CID 23521714
1-[1-(Butylsulfonyl)-5-phenyl-1H-pyrrol-3-yl]-N-methylmethanamine
CID 66924931
4-tert-Butyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 849941
1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 743635
N-[4-(4-pyridinylmethyl)phenyl]-1-butanesulfonamide
CID 2227811
1-phenyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 669272
N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 4070204
trans-(1S,2R)-2-[2-(methanesulfonamido)ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 10383582

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).