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

C15H25NO2S — CID 64674005

IUPAC1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)(=O)c1ccccc1C
InChIInChI=1S/C15H25NO2S/c1-4-8-14(16-11-5-2)12-19(17,18)15-10-7-6-9-13(15)3/h6-7,9-10,14,16H,4-5,8,11-12H2,1-3H3
InChIKeyANLQYXDZSVZOMO-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.94
Rot. Bonds8

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

1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine (PubChem CID 64674005) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine
PubChem CID64674005
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)(=O)c1ccccc1C
InChIInChI=1S/C15H25NO2S/c1-4-8-14(16-11-5-2)12-19(17,18)15-10-7-6-9-13(15)3/h6-7,9-10,14,16H,4-5,8,11-12H2,1-3H3
InChIKeyANLQYXDZSVZOMO-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
CID 64675474
N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpentan-2-amine
CID 106584775
1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
CID 64645946
1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 62473098
1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
CID 64645556
4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol
CID 64898401
N-[2-(2-methylphenyl)ethyl]heptan-4-amine
CID 79762422
3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol
CID 64899074
1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine
CID 64647016
6-(2-bromophenyl)sulfonyl-N-propylhexan-3-amine
CID 106807752
2-methyl-3-(2-methylphenyl)sulfonylpropanenitrile
CID 64692244
1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64641013

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine (CID 64674005) is 1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine is CCCNC(CCC)CS(=O)(=O)c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine?
The InChIKey is ANLQYXDZSVZOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-8-14(16-11-5-2)12-19(17,18)15-10-7-6-9-13(15)3/h6-7,9-10,14,16H,4-5,8,11-12H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine?
1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)sulfonyl-N-propylpentan-2-amine is sourced from PubChem (CID 64674005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).