3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine

C10H25N3O2S — CID 106165190

IUPAC3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine
SMILESCCC(C)(CCN)NS(=O)(=O)NCC(C)C
InChIInChI=1S/C10H25N3O2S/c1-5-10(4,6-7-11)13-16(14,15)12-8-9(2)3/h9,12-13H,5-8,11H2,1-4H3
InChIKeyQMSFNTKYPJVACV-UHFFFAOYSA-N
MW251.40 g/mol
LogP0.58
Rot. Bonds8

About 3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine

3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine (PubChem CID 106165190) has the molecular formula C10H25N3O2S and a molecular weight of 251.40 g/mol. Its IUPAC name is 3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine
PubChem CID106165190
Molecular FormulaC10H25N3O2S
Molecular Weight251.40 g/mol
Exact Mass251.17
IUPAC Name3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine
SMILESCCC(C)(CCN)NS(=O)(=O)NCC(C)C
InChIInChI=1S/C10H25N3O2S/c1-5-10(4,6-7-11)13-16(14,15)12-8-9(2)3/h9,12-13H,5-8,11H2,1-4H3
InChIKeyQMSFNTKYPJVACV-UHFFFAOYSA-N
XLogP0.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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

3-Amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane
CID 91659860
3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
CID 106165470
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
3-[(Sulfamoylamino)methyl]heptane
CID 87574850
2,2-dimethyl-N-(2-methylbutan-2-ylsulfamoyl)pentan-1-amine
CID 118180984
4-[2-(Sulfamoylamino)ethyl]heptane
CID 137536924
3-Methyl-2-(sulfamoylamino)heptane
CID 154426138
methane;4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 160469218
3-Ethyl-1-(sulfamoylamino)pentane
CID 167049503
3-(Aminomethyl)-3-(dimethylsulfamoylamino)pentane
CID 61123565
2-[[3-Aminopropyl(methyl)sulfamoyl]amino]-3-methylpentane
CID 61464320
2-[[3-Aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane
CID 63844176

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine?
The IUPAC name of 3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine (CID 106165190) is 3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine.
What is the SMILES notation for 3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine?
The canonical SMILES for 3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine is CCC(C)(CCN)NS(=O)(=O)NCC(C)C.
What is the InChIKey of 3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine?
The InChIKey is QMSFNTKYPJVACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2S/c1-5-10(4,6-7-11)13-16(14,15)12-8-9(2)3/h9,12-13H,5-8,11H2,1-4H3.
What are the key properties of 3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine?
3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine has a molecular weight of 251.40 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine is sourced from PubChem (CID 106165190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).