N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine

C9H21N3O2S — CID 114810384

IUPACN-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine
SMILESCC(C)NS(=O)(=O)NCCCNC1CC1
InChIInChI=1S/C9H21N3O2S/c1-8(2)12-15(13,14)11-7-3-6-10-9-4-5-9/h8-12H,3-7H2,1-2H3
InChIKeyFFJOVJLFGFWZCF-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.04
Rot. Bonds8

About N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine

N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine (PubChem CID 114810384) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine
PubChem CID114810384
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine
SMILESCC(C)NS(=O)(=O)NCCCNC1CC1
InChIInChI=1S/C9H21N3O2S/c1-8(2)12-15(13,14)11-7-3-6-10-9-4-5-9/h8-12H,3-7H2,1-2H3
InChIKeyFFJOVJLFGFWZCF-UHFFFAOYSA-N
XLogP-0.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.04
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-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide
CID 105361362
N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine
CID 114804063
N-(2-methylsulfonylethylsulfamoyl)propan-2-amine
CID 110612472
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
N-(2-piperidin-2-ylethylsulfamoyl)propan-2-amine
CID 114807445
N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine
CID 165455015
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
3-(cyclopropylamino)-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83147568
N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939919
5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598652
2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide
CID 112745062

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine (CID 114810384) is N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine is CC(C)NS(=O)(=O)NCCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine?
The InChIKey is FFJOVJLFGFWZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-8(2)12-15(13,14)11-7-3-6-10-9-4-5-9/h8-12H,3-7H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine?
N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine has a molecular weight of 235.35 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine is sourced from PubChem (CID 114810384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).