N-(benzylsulfamoyl)butan-1-amine

C11H18N2O2S — CID 15569640

IUPACN-(benzylsulfamoyl)butan-1-amine
SMILESCCCCNS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C11H18N2O2S/c1-2-3-9-12-16(14,15)13-10-11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3
InChIKeyJBOKHQALRCOCIP-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.41
Rot. Bonds7

About N-(benzylsulfamoyl)butan-1-amine

N-(benzylsulfamoyl)butan-1-amine (PubChem CID 15569640) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-(benzylsulfamoyl)butan-1-amine.

Molecular Properties

Compound NameN-(benzylsulfamoyl)butan-1-amine
PubChem CID15569640
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-(benzylsulfamoyl)butan-1-amine
SMILESCCCCNS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C11H18N2O2S/c1-2-3-9-12-16(14,15)13-10-11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3
InChIKeyJBOKHQALRCOCIP-UHFFFAOYSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(benzylsulfamoyl)-2-ethoxyethanamine
CID 154495272
N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1488551
N-(methylsulfamoyl)-1-phenylmethanamine
CID 20676291
N-benzylpentadecane-1-sulfonamide
CID 14025944
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
azane;N-benzylbutan-1-amine
CID 175388745
N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine
CID 110410258
CID 70601747
CID 70601747
benzylsulfamic acid;ethane
CID 154691965
N-benzyl-2-butoxy-4-methylbenzenesulfonamide
CID 16645128
pentylsulfamoyl N-benzylcarbamate
CID 91389428

Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfamoyl)butan-1-amine?
The IUPAC name of N-(benzylsulfamoyl)butan-1-amine (CID 15569640) is N-(benzylsulfamoyl)butan-1-amine.
What is the SMILES notation for N-(benzylsulfamoyl)butan-1-amine?
The canonical SMILES for N-(benzylsulfamoyl)butan-1-amine is CCCCNS(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylsulfamoyl)butan-1-amine?
The InChIKey is JBOKHQALRCOCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-3-9-12-16(14,15)13-10-11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3.
What are the key properties of N-(benzylsulfamoyl)butan-1-amine?
N-(benzylsulfamoyl)butan-1-amine has a molecular weight of 242.34 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)butan-1-amine is sourced from PubChem (CID 15569640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).