N-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine

C10H25N3O2S — CID 106116362

IUPACN-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine
SMILESCCCC(CCN)CNS(=O)(=O)NC(C)C
InChIInChI=1S/C10H25N3O2S/c1-4-5-10(6-7-11)8-12-16(14,15)13-9(2)3/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyPKLOTWWPXMUMPH-UHFFFAOYSA-N
MW251.40 g/mol
LogP0.58
Rot. Bonds9

About N-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine

N-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine (PubChem CID 106116362) has the molecular formula C10H25N3O2S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine
PubChem CID106116362
Molecular FormulaC10H25N3O2S
Molecular Weight251.40 g/mol
Exact Mass251.17
IUPAC NameN-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine
SMILESCCCC(CCN)CNS(=O)(=O)NC(C)C
InChIInChI=1S/C10H25N3O2S/c1-4-5-10(6-7-11)8-12-16(14,15)13-9(2)3/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyPKLOTWWPXMUMPH-UHFFFAOYSA-N
XLogP0.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dimethylhexylamine sulfate
CID 24838706
1,3-Dimethylhexylamine sulfate
CID 24838707
1,4-Dimethylhexylamine sulfate
CID 24838709
2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 114145477
1-(Dimethylsulfamoylamino)-4-methylpentane
CID 21021023
3-Methylheptan-2-ylsulfamic acid
CID 21497854
1-Amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 22000435
3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
CID 22966184
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
1-(Dimethylsulfamoylamino)-4-methylcyclohexane
CID 23381127
1-(Sulfinatoamino)ethylcyclohexane
CID 57082838
3-[(Sulfinatoamino)methyl]heptane
CID 57135935

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine?
The IUPAC name of N-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine (CID 106116362) is N-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine.
What is the SMILES notation for N-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine?
The canonical SMILES for N-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine is CCCC(CCN)CNS(=O)(=O)NC(C)C.
What is the InChIKey of N-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine?
The InChIKey is PKLOTWWPXMUMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2S/c1-4-5-10(6-7-11)8-12-16(14,15)13-9(2)3/h9-10,12-13H,4-8,11H2,1-3H3.
What are the key properties of N-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine?
N-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine has a molecular weight of 251.40 g/mol, XLogP of 0.58, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylsulfamoyl)-2-propylbutane-1,4-diamine is sourced from PubChem (CID 106116362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).