2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine

C9H23N3O2S — CID 106154207

IUPAC2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine
SMILESCC(CN)CCCNS(=O)(=O)NC(C)C
InChIInChI=1S/C9H23N3O2S/c1-8(2)12-15(13,14)11-6-4-5-9(3)7-10/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeySCXKHEMVUKGEME-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.19
Rot. Bonds8

About 2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine

2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine (PubChem CID 106154207) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine
PubChem CID106154207
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine
SMILESCC(CN)CCCNS(=O)(=O)NC(C)C
InChIInChI=1S/C9H23N3O2S/c1-8(2)12-15(13,14)11-6-4-5-9(3)7-10/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeySCXKHEMVUKGEME-UHFFFAOYSA-N
XLogP0.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine?
The IUPAC name of 2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine (CID 106154207) is 2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine.
What is the SMILES notation for 2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine?
The canonical SMILES for 2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine is CC(CN)CCCNS(=O)(=O)NC(C)C.
What is the InChIKey of 2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine?
The InChIKey is SCXKHEMVUKGEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-8(2)12-15(13,14)11-6-4-5-9(3)7-10/h8-9,11-12H,4-7,10H2,1-3H3.
What are the key properties of 2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine?
2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine has a molecular weight of 237.37 g/mol, XLogP of 0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine is sourced from PubChem (CID 106154207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).