[2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane

C12H27N3O2S — CID 61122575

IUPAC[2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane
SMILESCCN(CC)S(=O)(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-3-15(4-2)18(16,17)14-12(10-13)11-8-6-5-7-9-11/h11-12,14H,3-10,13H2,1-2H3
InChIKeyYWKSCHUKAJWCFL-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.07
Rot. Bonds7

About [2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane

[2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane (PubChem CID 61122575) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is [2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane.

Molecular Properties

Compound Name[2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane
PubChem CID61122575
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name[2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane
SMILESCCN(CC)S(=O)(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-3-15(4-2)18(16,17)14-12(10-13)11-8-6-5-7-9-11/h11-12,14H,3-10,13H2,1-2H3
InChIKeyYWKSCHUKAJWCFL-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium N-(2-ethylcyclohexyl)sulfamate
CID 23663562
3-(Dimethylsulfamoylamino)propylcyclohexane
CID 53535321
[(2-Amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane
CID 86780419
1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
1-(Diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53524276
cis-(1R,3S)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95173994
trans-(1S,3S)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95173995
trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95173996
cis-(1S,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95173997
3-methyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 42894521
4-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
CID 17946855
N-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine
CID 20774747

Frequently Asked Questions

What is the IUPAC name of [2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane?
The IUPAC name of [2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane (CID 61122575) is [2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane.
What is the SMILES notation for [2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane?
The canonical SMILES for [2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane is CCN(CC)S(=O)(=O)NC(CN)C1CCCCC1.
What is the InChIKey of [2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane?
The InChIKey is YWKSCHUKAJWCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-3-15(4-2)18(16,17)14-12(10-13)11-8-6-5-7-9-11/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of [2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane?
[2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane has a molecular weight of 277.43 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-(diethylsulfamoylamino)ethyl]cyclohexane is sourced from PubChem (CID 61122575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).