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-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride
CID 120875561
1-amino-2-(dipropylsulfamoylamino)hexane
CID 80696553
N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 80696971
2-(1-aminohexan-2-ylsulfamoyl)acetic acid
CID 80698128
N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119993074
N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride
CID 119993260
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-(1-aminohexan-2-yl)morpholine-4-sulfonamide
CID 80696386
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide
CID 120712481

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).