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

C13H21NO2S — CID 63199727

IUPACN-methyl-1-(2-propylsulfonylphenyl)propan-2-amine
SMILESCCCS(=O)(=O)c1ccccc1CC(C)NC
InChIInChI=1S/C13H21NO2S/c1-4-9-17(15,16)13-8-6-5-7-12(13)10-11(2)14-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyROBZWRZDKDLPKV-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.02
Rot. Bonds6

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

N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine (PubChem CID 63199727) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-propylsulfonylphenyl)propan-2-amine
PubChem CID63199727
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-methyl-1-(2-propylsulfonylphenyl)propan-2-amine
SMILESCCCS(=O)(=O)c1ccccc1CC(C)NC
InChIInChI=1S/C13H21NO2S/c1-4-9-17(15,16)13-8-6-5-7-12(13)10-11(2)14-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyROBZWRZDKDLPKV-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine
CID 63199723
N,3,3-trimethyl-1-(2-propylsulfonylphenyl)butan-2-amine
CID 63198050
N-methyl-1-(2-propylsulfonylphenyl)pentan-2-amine
CID 63199979
1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine
CID 55219614
N-ethyl-1-(2-propylsulfonylphenyl)pentan-2-amine
CID 63198549
N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine
CID 63200608
1-(2-propylsulfonylphenyl)butan-2-one
CID 63199177
N-methyl-1-[5-(2-propylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867452
(2-propylsulfonylphenyl)methanamine;hydrochloride
CID 68816477
N-[2-(methylamino)propyl]-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 120832590
N-butan-2-yl-2-propylsulfonylbenzamide
CID 17224858
N-ethyl-2-propylsulfonylaniline
CID 43453634

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine?
The IUPAC name of N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine (CID 63199727) is N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine?
The canonical SMILES for N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine is CCCS(=O)(=O)c1ccccc1CC(C)NC.
What is the InChIKey of N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine?
The InChIKey is ROBZWRZDKDLPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-4-9-17(15,16)13-8-6-5-7-12(13)10-11(2)14-3/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine?
N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine has a molecular weight of 255.38 g/mol, XLogP of 2.02, 6 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)propan-2-amine is sourced from PubChem (CID 63199727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).