N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine

C15H25NO2S — CID 63199979

IUPACN-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine
SMILESCCCC(Cc1ccccc1S(=O)(=O)CCC)NC
InChIInChI=1S/C15H25NO2S/c1-4-8-14(16-3)12-13-9-6-7-10-15(13)19(17,18)11-5-2/h6-7,9-10,14,16H,4-5,8,11-12H2,1-3H3
InChIKeyHSLWMHSVPOQLOM-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.80
Rot. Bonds8

About N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine

N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine (PubChem CID 63199979) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine
PubChem CID63199979
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine
SMILESCCCC(Cc1ccccc1S(=O)(=O)CCC)NC
InChIInChI=1S/C15H25NO2S/c1-4-8-14(16-3)12-13-9-6-7-10-15(13)19(17,18)11-5-2/h6-7,9-10,14,16H,4-5,8,11-12H2,1-3H3
InChIKeyHSLWMHSVPOQLOM-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine
CID 63198549
N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine
CID 63199727
N,3,3-trimethyl-1-(2-propylsulfonylphenyl)butan-2-amine
CID 63198050
1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine
CID 63199723
1-(2-propylsulfonylphenyl)butan-2-one
CID 63199177
(2-propylsulfonylphenyl)methanamine;hydrochloride
CID 68816477
1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
CID 64645946
N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide
CID 63202014
5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
CID 65095703
1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine
CID 55095130
N-ethyl-2-propylsulfonylaniline
CID 43453634
1-methyl-3-(2-propylsulfonylphenyl)urea
CID 117061578

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine?
The IUPAC name of N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine (CID 63199979) is N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine.
What is the SMILES notation for N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine?
The canonical SMILES for N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine is CCCC(Cc1ccccc1S(=O)(=O)CCC)NC.
What is the InChIKey of N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine?
The InChIKey is HSLWMHSVPOQLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-8-14(16-3)12-13-9-6-7-10-15(13)19(17,18)11-5-2/h6-7,9-10,14,16H,4-5,8,11-12H2,1-3H3.
What are the key properties of N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine?
N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine is sourced from PubChem (CID 63199979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).