1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride

C16H36ClN3O2S — CID 119970554

IUPAC1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C16H35N3O2S.ClH/c1-13(2)9-11-19(12-10-14(3)4)22(20,21)18-16-7-5-15(17)6-8-16;/h13-16,18H,5-12,17H2,1-4H3;1H
InChIKeyQYNRPQQWYPJKSA-UHFFFAOYSA-N
MW370.00 g/mol
LogP2.91
Rot. Bonds9

About 1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride

1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride (PubChem CID 119970554) has the molecular formula C16H36ClN3O2S and a molecular weight of 370.00 g/mol. Its IUPAC name is 1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride.

Molecular Properties

Compound Name1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride
PubChem CID119970554
Molecular FormulaC16H36ClN3O2S
Molecular Weight370.00 g/mol
Exact Mass369.22
IUPAC Name1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C16H35N3O2S.ClH/c1-13(2)9-11-19(12-10-14(3)4)22(20,21)18-16-7-5-15(17)6-8-16;/h13-16,18H,5-12,17H2,1-4H3;1H
InChIKeyQYNRPQQWYPJKSA-UHFFFAOYSA-N
XLogP2.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.00
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[bis(3-methylbutyl)sulfamoylamino]-8-azabicyclo[3.2.1]octane
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[[2-aminoethyl(propyl)sulfamoyl]amino]cyclopropane
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CID 104978377
1,4-bis(diethylsulfamoylamino)cyclohexane
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1-amino-3-(dipropylsulfamoylamino)cyclobutane
CID 43597733
[[(3-amino-4-methylpentyl)-methylsulfamoyl]amino]cyclopropane
CID 114811297
N-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119970647
N-(4-aminocyclohexyl)ethanesulfonamide;cyclohexane-1,4-diamine;ethanesulfonyl chloride;hydrochloride
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CID 119978104

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride?
The IUPAC name of 1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride (CID 119970554) is 1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride.
What is the SMILES notation for 1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride?
The canonical SMILES for 1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride is CC(C)CCN(CCC(C)C)S(=O)(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of 1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride?
The InChIKey is QYNRPQQWYPJKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O2S.ClH/c1-13(2)9-11-19(12-10-14(3)4)22(20,21)18-16-7-5-15(17)6-8-16;/h13-16,18H,5-12,17H2,1-4H3;1H.
What are the key properties of 1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride?
1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride has a molecular weight of 370.00 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride is sourced from PubChem (CID 119970554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).