1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane

C9H21N3O2S — CID 22000435

IUPAC1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane
SMILESCN(C)S(=O)(=O)NCC1CCC(N)CC1
InChIInChI=1S/C9H21N3O2S/c1-12(2)15(13,14)11-7-8-3-5-9(10)6-4-8/h8-9,11H,3-7,10H2,1-2H3
InChIKeyWKXUXBCBEBOBKC-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.10
Rot. Bonds4

About 1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane

1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane (PubChem CID 22000435) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane.

Molecular Properties

Compound Name1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane
PubChem CID22000435
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane
SMILESCN(C)S(=O)(=O)NCC1CCC(N)CC1
InChIInChI=1S/C9H21N3O2S/c1-12(2)15(13,14)11-7-8-3-5-9(10)6-4-8/h8-9,11H,3-7,10H2,1-2H3
InChIKeyWKXUXBCBEBOBKC-UHFFFAOYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium N-(2-ethylcyclohexyl)sulfamate
CID 23663562
4-Methylcyclohexylsulfamate
CID 23688970
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
1-(Dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53526125
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
cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95286792

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane?
The IUPAC name of 1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane (CID 22000435) is 1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane.
What is the SMILES notation for 1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane?
The canonical SMILES for 1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane is CN(C)S(=O)(=O)NCC1CCC(N)CC1.
What is the InChIKey of 1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane?
The InChIKey is WKXUXBCBEBOBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-12(2)15(13,14)11-7-8-3-5-9(10)6-4-8/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of 1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane?
1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane has a molecular weight of 235.35 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane is sourced from PubChem (CID 22000435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).