1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine

C8H21N3O2S — CID 114810500

IUPAC1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine
SMILESCCNS(=O)(=O)NCC(N)CC(C)C
InChIInChI=1S/C8H21N3O2S/c1-4-10-14(12,13)11-6-8(9)5-7(2)3/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyWPPARWLNGMFDQS-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.20
Rot. Bonds7

About 1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine

1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine (PubChem CID 114810500) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine
PubChem CID114810500
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC Name1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine
SMILESCCNS(=O)(=O)NCC(N)CC(C)C
InChIInChI=1S/C8H21N3O2S/c1-4-10-14(12,13)11-6-8(9)5-7(2)3/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyWPPARWLNGMFDQS-UHFFFAOYSA-N
XLogP-0.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(ethylsulfamoyl)butan-1-amine
CID 115638452
N-(2-amino-4-methylpentyl)cyclopentanesulfonamide
CID 105361370
1-N-(propan-2-ylsulfamoyl)pentane-1,2-diamine
CID 114812975
methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate
CID 103946924
[(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane
CID 43606374
2-(ethylsulfamoylamino)propanethioamide
CID 114808115
N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43606292
N-(2-amino-4-methylpentyl)-4-nitrobenzenesulfonamide
CID 43606335
N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide
CID 43606367
N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43606425
1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine
CID 114816081
N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide
CID 107158792

Frequently Asked Questions

What is the IUPAC name of 1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine (CID 114810500) is 1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine is CCNS(=O)(=O)NCC(N)CC(C)C.
What is the InChIKey of 1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine?
The InChIKey is WPPARWLNGMFDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-4-10-14(12,13)11-6-8(9)5-7(2)3/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine?
1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine has a molecular weight of 223.34 g/mol, XLogP of -0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 114810500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).