5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine

C14H24N2O2S — CID 55163915

IUPAC5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine
SMILESCCCNC(CCCS(C)(=O)=O)Cc1ccncc1
InChIInChI=1S/C14H24N2O2S/c1-3-8-16-14(5-4-11-19(2,17)18)12-13-6-9-15-10-7-13/h6-7,9-10,14,16H,3-5,8,11-12H2,1-2H3
InChIKeyYMVGGXYFMVIZDV-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.82
Rot. Bonds9

About 5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine

5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine (PubChem CID 55163915) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine.

Molecular Properties

Compound Name5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine
PubChem CID55163915
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine
SMILESCCCNC(CCCS(C)(=O)=O)Cc1ccncc1
InChIInChI=1S/C14H24N2O2S/c1-3-8-16-14(5-4-11-19(2,17)18)12-13-6-9-15-10-7-13/h6-7,9-10,14,16H,3-5,8,11-12H2,1-2H3
InChIKeyYMVGGXYFMVIZDV-UHFFFAOYSA-N
XLogP1.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-methylsulfonyl-1-pyridin-4-ylpentan-2-amine
CID 63192370
4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 62605290
5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 65095900
1-(2,5-dimethylphenyl)-5-methylsulfonyl-N-propylpentan-2-amine
CID 115820693
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 103009812
5-methylsulfonyl-N-propyl-1-propylsulfanylpentan-2-amine
CID 65128638
3-methylsulfonyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81410572
1-(4-ethylphenyl)-N-propylnonan-2-amine
CID 115803240
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
(1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine
CID 105317597

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine?
The IUPAC name of 5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine (CID 55163915) is 5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine.
What is the SMILES notation for 5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine?
The canonical SMILES for 5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine is CCCNC(CCCS(C)(=O)=O)Cc1ccncc1.
What is the InChIKey of 5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine?
The InChIKey is YMVGGXYFMVIZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-8-16-14(5-4-11-19(2,17)18)12-13-6-9-15-10-7-13/h6-7,9-10,14,16H,3-5,8,11-12H2,1-2H3.
What are the key properties of 5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine?
5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine has a molecular weight of 284.42 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine is sourced from PubChem (CID 55163915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).