N-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine

C9H23N3O2S — CID 106141799

IUPACN-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine
SMILESCCNS(=O)(=O)NCC(C)(C)CCCN
InChIInChI=1S/C9H23N3O2S/c1-4-11-15(13,14)12-8-9(2,3)6-5-7-10/h11-12H,4-8,10H2,1-3H3
InChIKeyNBUCIUHOQOOJNO-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.20
Rot. Bonds8

About N-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine

N-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine (PubChem CID 106141799) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine
PubChem CID106141799
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC NameN-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine
SMILESCCNS(=O)(=O)NCC(C)(C)CCCN
InChIInChI=1S/C9H23N3O2S/c1-4-11-15(13,14)12-8-9(2,3)6-5-7-10/h11-12H,4-8,10H2,1-3H3
InChIKeyNBUCIUHOQOOJNO-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pentylsulfamoyl)pentan-1-amine
CID 87691893
N-(4,4-dimethylpentyl)sulfamoyl fluoride
CID 59881111
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine
CID 114149107
2,4,4-trimethyl-N-(2,4,4-trimethylpentylsulfamoyl)pentan-1-amine
CID 20240475
N-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide
CID 20657896
3,3,4,4-tetramethyl-N-(methylsulfamoyl)pentan-1-amine
CID 20706577
N-(5,5-dimethylhexyl)methanesulfonamide
CID 20706690
N-(4,4-dimethylpentyl)methanesulfonamide
CID 20776366
1-(Dimethylsulfamoylamino)-4-methylpentane
CID 21021023
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
2,4,4-Trimethyl-1-(sulfinatoamino)pentane
CID 57421733
3,5,5-Trimethyl-1-(sulfinatoamino)hexane
CID 57421741

Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine?
The IUPAC name of N-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine (CID 106141799) is N-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine.
What is the SMILES notation for N-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine?
The canonical SMILES for N-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine is CCNS(=O)(=O)NCC(C)(C)CCCN.
What is the InChIKey of N-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine?
The InChIKey is NBUCIUHOQOOJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-4-11-15(13,14)12-8-9(2,3)6-5-7-10/h11-12H,4-8,10H2,1-3H3.
What are the key properties of N-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine?
N-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine has a molecular weight of 237.37 g/mol, XLogP of 0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfamoyl)-2,2-dimethylpentane-1,5-diamine is sourced from PubChem (CID 106141799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).