N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride

C10H25ClN2O2S — CID 120583763

IUPACN-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride
SMILESCCC(CC)CS(=O)(=O)NCCCCN.Cl
InChIInChI=1S/C10H24N2O2S.ClH/c1-3-10(4-2)9-15(13,14)12-8-6-5-7-11;/h10,12H,3-9,11H2,1-2H3;1H
InChIKeyZCPNLGUXVLHOBJ-UHFFFAOYSA-N
MW272.84 g/mol
LogP1.50
Rot. Bonds9

About N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride

N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride (PubChem CID 120583763) has the molecular formula C10H25ClN2O2S and a molecular weight of 272.84 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride
PubChem CID120583763
Molecular FormulaC10H25ClN2O2S
Molecular Weight272.84 g/mol
Exact Mass272.13
IUPAC NameN-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride
SMILESCCC(CC)CS(=O)(=O)NCCCCN.Cl
InChIInChI=1S/C10H24N2O2S.ClH/c1-3-10(4-2)9-15(13,14)12-8-6-5-7-11;/h10,12H,3-9,11H2,1-2H3;1H
InChIKeyZCPNLGUXVLHOBJ-UHFFFAOYSA-N
XLogP1.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-ethylbutane-1-sulfonamide
CID 119960084
N-(3-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119972475
2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride
CID 119994700
5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid
CID 161088986
N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide
CID 88877324
N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride
CID 120583339
N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119993074
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
1-amino-4-(diethylsulfamoylamino)butane
CID 60894331
butane-1,4-diamine;methanesulfonic acid
CID 160759082
N,N'-dihexadecylmethanedisulfonamide
CID 140586841
N'-(methylsulfamoyl)pentane-1,5-diamine
CID 114804066

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride (CID 120583763) is N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride is CCC(CC)CS(=O)(=O)NCCCCN.Cl.
What is the InChIKey of N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
The InChIKey is ZCPNLGUXVLHOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S.ClH/c1-3-10(4-2)9-15(13,14)12-8-6-5-7-11;/h10,12H,3-9,11H2,1-2H3;1H.
What are the key properties of N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride has a molecular weight of 272.84 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-ethylbutane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120583763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).