5-(benzenesulfonyl)-N-propylpentan-2-amine

C14H23NO2S — CID 62916866

IUPAC5-(benzenesulfonyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-3-11-15-13(2)8-7-12-18(16,17)14-9-5-4-6-10-14/h4-6,9-10,13,15H,3,7-8,11-12H2,1-2H3
InChIKeyVICSYXUVOQHAPN-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.63
Rot. Bonds8

About 5-(benzenesulfonyl)-N-propylpentan-2-amine

5-(benzenesulfonyl)-N-propylpentan-2-amine (PubChem CID 62916866) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-propylpentan-2-amine
PubChem CID62916866
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name5-(benzenesulfonyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-3-11-15-13(2)8-7-12-18(16,17)14-9-5-4-6-10-14/h4-6,9-10,13,15H,3,7-8,11-12H2,1-2H3
InChIKeyVICSYXUVOQHAPN-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine
CID 64645664
[(4S)-4-methyloctadecyl]sulfonylbenzene
CID 10645166
6-phenyl-N-propylhexan-2-amine
CID 61485022
4-(3-bromophenyl)sulfonyl-N-propylbutan-2-amine
CID 64676423
N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine
CID 64640593
5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine
CID 64673944
4-(benzenesulfonyl)-N-propylpentan-2-amine
CID 64704973
[(9S)-9-methyltridecyl]sulfonylbenzene
CID 11110546
(2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine
CID 95279364
6-(benzenesulfonyl)hexan-3-ol
CID 106808103
N-[2-(benzenesulfonyl)ethyl]-4-methylpentan-1-amine
CID 113230159
5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine
CID 64676520

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-propylpentan-2-amine?
The IUPAC name of 5-(benzenesulfonyl)-N-propylpentan-2-amine (CID 62916866) is 5-(benzenesulfonyl)-N-propylpentan-2-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-N-propylpentan-2-amine?
The canonical SMILES for 5-(benzenesulfonyl)-N-propylpentan-2-amine is CCCNC(C)CCCS(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-N-propylpentan-2-amine?
The InChIKey is VICSYXUVOQHAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-11-15-13(2)8-7-12-18(16,17)14-9-5-4-6-10-14/h4-6,9-10,13,15H,3,7-8,11-12H2,1-2H3.
What are the key properties of 5-(benzenesulfonyl)-N-propylpentan-2-amine?
5-(benzenesulfonyl)-N-propylpentan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-propylpentan-2-amine is sourced from PubChem (CID 62916866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).