N-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide

C14H25N3O2S — CID 115317614

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C14H25N3O2S/c1-12(2)14(15)6-10-17(3)20(18,19)11-7-13-4-8-16-9-5-13/h4-5,8-9,12,14H,6-7,10-11,15H2,1-3H3
InChIKeyYBELMCZAZSUAEJ-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.26
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide

N-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide (PubChem CID 115317614) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide
PubChem CID115317614
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C14H25N3O2S/c1-12(2)14(15)6-10-17(3)20(18,19)11-7-13-4-8-16-9-5-13/h4-5,8-9,12,14H,6-7,10-11,15H2,1-3H3
InChIKeyYBELMCZAZSUAEJ-UHFFFAOYSA-N
XLogP1.26
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685
3-[methyl(2-pyridin-4-ylethylsulfonyl)amino]propanethioamide
CID 60892675
N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 115317658
N-(2-chloro-3-methoxypropyl)-N-methyl-2-pyridin-4-ylethanesulfonamide
CID 63400752
2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine
CID 60913377
N-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119992025
4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide
CID 35886705
N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
CID 110755632
N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119992112
N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106598661
4-(2-ethylsulfonylethyl)pyridine
CID 59155282

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide (CID 115317614) is N-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide is CC(C)C(N)CCN(C)S(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide?
The InChIKey is YBELMCZAZSUAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-12(2)14(15)6-10-17(3)20(18,19)11-7-13-4-8-16-9-5-13/h4-5,8-9,12,14H,6-7,10-11,15H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide?
N-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 115317614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).