N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride

C9H23ClN2O2S — CID 119993242

IUPACN-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)CCC.Cl
InChIInChI=1S/C9H22N2O2S.ClH/c1-3-5-6-9(8-10)11-14(12,13)7-4-2;/h9,11H,3-8,10H2,1-2H3;1H
InChIKeyFIGVFFXWIIDSAM-UHFFFAOYSA-N
MW258.81 g/mol
LogP1.26
Rot. Bonds8

About N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride

N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride (PubChem CID 119993242) has the molecular formula C9H23ClN2O2S and a molecular weight of 258.81 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
PubChem CID119993242
Molecular FormulaC9H23ClN2O2S
Molecular Weight258.81 g/mol
Exact Mass258.12
IUPAC NameN-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)CCC.Cl
InChIInChI=1S/C9H22N2O2S.ClH/c1-3-5-6-9(8-10)11-14(12,13)7-4-2;/h9,11H,3-8,10H2,1-2H3;1H
InChIKeyFIGVFFXWIIDSAM-UHFFFAOYSA-N
XLogP1.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.81
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119993074
N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride
CID 119993260
1-amino-2-(sulfamoylamino)hexane
CID 114959420
N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 80696971
2-(1-aminohexan-2-ylsulfamoyl)acetic acid
CID 80698128
2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride
CID 120875561
N-(1-aminopentan-2-yl)-3-methylbutane-1-sulfonamide
CID 63834752
1-amino-2-(dipropylsulfamoylamino)hexane
CID 80696553
N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119993027
N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 80696702
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate
CID 65192511

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride (CID 119993242) is N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)CCC.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride?
The InChIKey is FIGVFFXWIIDSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S.ClH/c1-3-5-6-9(8-10)11-14(12,13)7-4-2;/h9,11H,3-8,10H2,1-2H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride has a molecular weight of 258.81 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119993242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).