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

C15H25NO3S — CID 64675474

IUPAC1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)(=O)c1ccccc1OC
InChIInChI=1S/C15H25NO3S/c1-4-8-13(16-11-5-2)12-20(17,18)15-10-7-6-9-14(15)19-3/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3
InChIKeyXGWFIBYJPBPFJY-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.64
Rot. Bonds9

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

1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine (PubChem CID 64675474) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
PubChem CID64675474
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)(=O)c1ccccc1OC
InChIInChI=1S/C15H25NO3S/c1-4-8-13(16-11-5-2)12-20(17,18)15-10-7-6-9-14(15)19-3/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3
InChIKeyXGWFIBYJPBPFJY-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

N-[2-(2-methoxyphenyl)sulfanylethyl]acetamide
CID 49865267
N-[(2S)-1-(3-methoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 49865378
N-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide
CID 3240786
N-butyl-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-4-methoxybenzene-1-sulfonamide
CID 16268813
N-[1-(3-methoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 49865376
(4-methoxyphenyl) N-(4-methylsulfinylbutyl)carbamodithioate
CID 145980691
2-[(4-Methoxyphenyl)sulfonyl]ethanamine
CID 16644604
Ethylamine, 2-(o-anisylthio)-N,N-diethyl-, hydrochloride
CID 45443
Ethylamine, 2-(4-methoxyphenylsulfonyl)-N-methyl-, hydrochloride
CID 49337
2-(4-Methoxybenzene-1-sulfonyl)-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)
CID 49341
Propylamine, 2-(o-anisylthio)-N,N-dimethyl-, hydrochloride
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Butylamine, N-(2-(4-methoxyphenylsulfonyl)ethyl)-, hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine (CID 64675474) is 1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine is CCCNC(CCC)CS(=O)(=O)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine?
The InChIKey is XGWFIBYJPBPFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-4-8-13(16-11-5-2)12-20(17,18)15-10-7-6-9-14(15)19-3/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine?
1-(2-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-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine is sourced from PubChem (CID 64675474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).