N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide

C9H23N3O4S2 — CID 51078399

IUPACN-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide
SMILESCCCCN(C)S(=O)(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C9H23N3O4S2/c1-4-5-9-12(2)18(15,16)11-8-6-7-10-17(3,13)14/h10-11H,4-9H2,1-3H3
InChIKeyXTDJTZUKBGIEID-UHFFFAOYSA-N
MW301.43 g/mol
LogP-0.51
Rot. Bonds10

About N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide

N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide (PubChem CID 51078399) has the molecular formula C9H23N3O4S2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide
PubChem CID51078399
Molecular FormulaC9H23N3O4S2
Molecular Weight301.43 g/mol
Exact Mass301.11
IUPAC NameN-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide
SMILESCCCCN(C)S(=O)(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C9H23N3O4S2/c1-4-5-9-12(2)18(15,16)11-8-6-7-10-17(3,13)14/h10-11H,4-9H2,1-3H3
InChIKeyXTDJTZUKBGIEID-UHFFFAOYSA-N
XLogP-0.51
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63251281
1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
CID 64912910
N-[3-(pentylamino)propyl]methanesulfonamide
CID 106333021
1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methylpropane
CID 65113164
2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63730547
1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene
CID 39662817
3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine
CID 47171225
1-[2-[[butyl(methyl)sulfamoyl]amino]ethylsulfanyl]-4-chlorobenzene
CID 47171220
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543

Frequently Asked Questions

What is the IUPAC name of N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide (CID 51078399) is N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide is CCCCN(C)S(=O)(=O)NCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide?
The InChIKey is XTDJTZUKBGIEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O4S2/c1-4-5-9-12(2)18(15,16)11-8-6-7-10-17(3,13)14/h10-11H,4-9H2,1-3H3.
What are the key properties of N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide?
N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide has a molecular weight of 301.43 g/mol, XLogP of -0.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 51078399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).