1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide

C12H20N2O2S — CID 55100444

IUPAC1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide
SMILESCCCNCCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-2-8-13-9-10-14-17(15,16)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyRPAQGYFDJVQHSX-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.11
Rot. Bonds8

About 1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide

1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide (PubChem CID 55100444) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide
PubChem CID55100444
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide
SMILESCCCNCCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-2-8-13-9-10-14-17(15,16)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyRPAQGYFDJVQHSX-UHFFFAOYSA-N
XLogP1.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride
CID 120716079
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949
N-(benzylsulfonylmethyl)propan-1-amine
CID 173193480
N-[2-(propylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120715926
1-(3-chloro-4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide
CID 120875993
1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide
CID 68509639
N-(3-octoxypropyl)-1-phenylmethanesulfonamide
CID 19014106
N-(2-oxoethyl)-1-phenylmethanesulfonamide
CID 89052958
N-(3-iodopropyl)-1-phenylmethanesulfonamide
CID 114504628
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
N-(3-bromopropyl)-1-phenylmethanesulfonamide
CID 43133750
N-(3-bromobutyl)-1-phenylmethanesulfonamide
CID 114297745

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide (CID 55100444) is 1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide is CCCNCCNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide?
The InChIKey is RPAQGYFDJVQHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-8-13-9-10-14-17(15,16)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3.
What are the key properties of 1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide?
1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 55100444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).