1-amino-2-(sulfamoylamino)hexane

C6H17N3O2S — CID 114959420

IUPAC1-amino-2-(sulfamoylamino)hexane
SMILESCCCCC(CN)NS(N)(=O)=O
InChIInChI=1S/C6H17N3O2S/c1-2-3-4-6(5-7)9-12(8,10)11/h6,9H,2-5,7H2,1H3,(H2,8,10,11)
InChIKeyGDLXUQQRYTXYMU-UHFFFAOYSA-N
MW195.29 g/mol
LogP-0.70
Rot. Bonds6

About 1-amino-2-(sulfamoylamino)hexane

1-amino-2-(sulfamoylamino)hexane (PubChem CID 114959420) has the molecular formula C6H17N3O2S and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-amino-2-(sulfamoylamino)hexane.

Molecular Properties

Compound Name1-amino-2-(sulfamoylamino)hexane
PubChem CID114959420
Molecular FormulaC6H17N3O2S
Molecular Weight195.29 g/mol
Exact Mass195.10
IUPAC Name1-amino-2-(sulfamoylamino)hexane
SMILESCCCCC(CN)NS(N)(=O)=O
InChIInChI=1S/C6H17N3O2S/c1-2-3-4-6(5-7)9-12(8,10)11/h6,9H,2-5,7H2,1H3,(H2,8,10,11)
InChIKeyGDLXUQQRYTXYMU-UHFFFAOYSA-N
XLogP-0.70
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexylsulfamide
CID 12355590
Hexyl(Hexylsulfamoyl)Amine
CID 15569647
Sulfamide, N-cyclohexyl-N'-methyl-
CID 1513138
Ammonium cyclohexylsulfamate
CID 9877636
N-Hexylsulfamide
CID 15569630
N-(butylsulfamoyl)cyclohexanamine
CID 15569633
N-(pentylsulfamoyl)pentan-1-amine
CID 87691893
N-(propan-2-ylsulfamoyl)cyclohexanamine
CID 759111
N-(pentylsulfamoyl)cyclohexanamine
CID 15569634
N-(hexylsulfamoyl)cyclohexanamine
CID 15569635
2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 114803686
2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine
CID 114811184

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(sulfamoylamino)hexane?
The IUPAC name of 1-amino-2-(sulfamoylamino)hexane (CID 114959420) is 1-amino-2-(sulfamoylamino)hexane.
What is the SMILES notation for 1-amino-2-(sulfamoylamino)hexane?
The canonical SMILES for 1-amino-2-(sulfamoylamino)hexane is CCCCC(CN)NS(N)(=O)=O.
What is the InChIKey of 1-amino-2-(sulfamoylamino)hexane?
The InChIKey is GDLXUQQRYTXYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O2S/c1-2-3-4-6(5-7)9-12(8,10)11/h6,9H,2-5,7H2,1H3,(H2,8,10,11).
What are the key properties of 1-amino-2-(sulfamoylamino)hexane?
1-amino-2-(sulfamoylamino)hexane has a molecular weight of 195.29 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(sulfamoylamino)hexane is sourced from PubChem (CID 114959420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).