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

C12H27ClN2O2S — CID 119970647

IUPACN-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride
SMILESCCC(CC)CS(=O)(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C12H26N2O2S.ClH/c1-3-10(4-2)9-17(15,16)14-12-7-5-11(13)6-8-12;/h10-12,14H,3-9,13H2,1-2H3;1H
InChIKeyRCYNHDKYHQWVGE-UHFFFAOYSA-N
MW298.88 g/mol
LogP2.03
Rot. Bonds6

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

N-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride (PubChem CID 119970647) has the molecular formula C12H27ClN2O2S and a molecular weight of 298.88 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride
PubChem CID119970647
Molecular FormulaC12H27ClN2O2S
Molecular Weight298.88 g/mol
Exact Mass298.15
IUPAC NameN-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride
SMILESCCC(CC)CS(=O)(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C12H26N2O2S.ClH/c1-3-10(4-2)9-17(15,16)14-12-7-5-11(13)6-8-12;/h10-12,14H,3-9,13H2,1-2H3;1H
InChIKeyRCYNHDKYHQWVGE-UHFFFAOYSA-N
XLogP2.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride
CID 119970554
1-amino-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
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N-(3-aminocyclobutyl)ethanesulfonamide
CID 43597857
N-cyclopropylhexane-1-sulfonamide
CID 67119181
1-cyclopropyl-N-(2-ethylbutyl)methanesulfonamide
CID 115673529
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CID 16787497

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride (CID 119970647) is N-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride is CCC(CC)CS(=O)(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
The InChIKey is RCYNHDKYHQWVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S.ClH/c1-3-10(4-2)9-17(15,16)14-12-7-5-11(13)6-8-12;/h10-12,14H,3-9,13H2,1-2H3;1H.
What are the key properties of N-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride?
N-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride has a molecular weight of 298.88 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119970647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).