4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine

C9H22N2O2S — CID 22966185

IUPAC4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
SMILESCC(C)CCCNS(=O)(=O)NC(C)C
InChIInChI=1S/C9H22N2O2S/c1-8(2)6-5-7-10-14(12,13)11-9(3)4/h8-11H,5-7H2,1-4H3
InChIKeySZUYVMWQMZZRJH-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.25
Rot. Bonds7

About 4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine

4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine (PubChem CID 22966185) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is 4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
PubChem CID22966185
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
SMILESCC(C)CCCNS(=O)(=O)NC(C)C
InChIInChI=1S/C9H22N2O2S/c1-8(2)6-5-7-10-14(12,13)11-9(3)4/h8-11H,5-7H2,1-4H3
InChIKeySZUYVMWQMZZRJH-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.25
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-[(2S)-2-amino-4-methylpentyl]methanesulfonamide
CID 127043189
3-methyl-N-(3-methylbutylsulfamoyl)butan-1-amine
CID 102243142
N-(2-bicyclo[1.1.1]pentanylsulfamoyl)bicyclo[1.1.1]pentan-2-amine
CID 134897186
2-Methyl-4-[methyl(methylsulfamoyl)amino]pentane
CID 154708555
4-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637345
4-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637383
2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine
CID 114150922
4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
CID 114178208
2,4,4-trimethyl-N-(2,4,4-trimethylpentylsulfamoyl)pentan-1-amine
CID 20240475
1-(Dimethylsulfamoylamino)-4-methylpentane
CID 21021023
3-Methylheptan-2-ylsulfamic acid
CID 21497854
3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
CID 22966184

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine?
The IUPAC name of 4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine (CID 22966185) is 4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine?
The canonical SMILES for 4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine is CC(C)CCCNS(=O)(=O)NC(C)C.
What is the InChIKey of 4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine?
The InChIKey is SZUYVMWQMZZRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-8(2)6-5-7-10-14(12,13)11-9(3)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine?
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine has a molecular weight of 222.35 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine is sourced from PubChem (CID 22966185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).