1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine

C15H25NO3S — CID 64645556

IUPAC1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C15H25NO3S/c1-4-7-13(16-10-5-2)12-20(17,18)15-9-6-8-14(11-15)19-3/h6,8-9,11,13,16H,4-5,7,10,12H2,1-3H3
InChIKeyQWXPOEUYDONJAI-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.64
Rot. Bonds9

About 1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine

1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine (PubChem CID 64645556) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
PubChem CID64645556
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C15H25NO3S/c1-4-7-13(16-10-5-2)12-20(17,18)15-9-6-8-14(11-15)19-3/h6,8-9,11,13,16H,4-5,7,10,12H2,1-3H3
InChIKeyQWXPOEUYDONJAI-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
CID 64675474
1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine
CID 64675422
1-methoxy-3-(4-methoxyphenyl)sulfonyl-N-propylpropan-2-amine
CID 107508514
1-methoxy-3-(4-methylheptylsulfonyl)benzene
CID 143090570
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine
CID 64674005
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
1-(3,3-diethoxypropylsulfonyl)-3-methoxybenzene
CID 64643692
N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
CID 104753895
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
3-(3-methoxyphenyl)sulfonylheptan-4-amine
CID 64646750

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine (CID 64645556) is 1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine is CCCNC(CCC)CS(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine?
The InChIKey is QWXPOEUYDONJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-4-7-13(16-10-5-2)12-20(17,18)15-9-6-8-14(11-15)19-3/h6,8-9,11,13,16H,4-5,7,10,12H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine?
1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine is sourced from PubChem (CID 64645556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).