N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide

C13H22N2O2S — CID 63766951

IUPACN-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
SMILESCCCCN(CCN)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-2-3-10-15(11-9-14)18(16,17)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12,14H2,1H3
InChIKeyYNBIZYVGXJKGCV-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.58
Rot. Bonds8

About N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide

N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide (PubChem CID 63766951) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
PubChem CID63766951
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
SMILESCCCCN(CCN)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-2-3-10-15(11-9-14)18(16,17)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12,14H2,1H3
InChIKeyYNBIZYVGXJKGCV-UHFFFAOYSA-N
XLogP1.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide
CID 43136946
N-(2-bromoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 80669812
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide
CID 63287056
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029
1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61111090
N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 120895557
N-dodecyl-N-[2-(hydroxyamino)oxyethyl]-1-phenylmethanesulfonamide
CID 54016004
1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
CID 62020523
2-[benzylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927546
N-[benzylsulfonyl(pentyl)amino]sulfanyl-N-pentyl-1-phenylmethanesulfonamide
CID 21404304
N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide
CID 63765608

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide (CID 63766951) is N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide is CCCCN(CCN)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide?
The InChIKey is YNBIZYVGXJKGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-2-3-10-15(11-9-14)18(16,17)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12,14H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide?
N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 63766951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).