1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane

C9H20N2O2S — CID 127671510

IUPAC1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane
SMILESCC1(C)CCC(CNS(N)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-9(2)5-3-8(4-6-9)7-11-14(10,12)13/h8,11H,3-7H2,1-2H3,(H2,10,12,13)
InChIKeyLHZSSGBZFYBPCS-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.00
Rot. Bonds3

About 1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane

1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane (PubChem CID 127671510) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane.

Molecular Properties

Compound Name1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane
PubChem CID127671510
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane
SMILESCC1(C)CCC(CNS(N)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-9(2)5-3-8(4-6-9)7-11-14(10,12)13/h8,11H,3-7H2,1-2H3,(H2,10,12,13)
InChIKeyLHZSSGBZFYBPCS-UHFFFAOYSA-N
XLogP1.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride
CID 130596221
1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane
CID 112687372
1-(aminomethyl)-4-[(sulfamoylamino)methyl]cyclohexane
CID 123446235
4-[(sulfamoylamino)methyl]piperidine
CID 24703134
N-[(4,4-dimethylcyclohexyl)methyl]propanamide
CID 130164605
1-cyclopropyl-N-(methylsulfamoyl)methanamine
CID 130639656
1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane
CID 86706430
(4,4-dimethylcyclohexyl)methanesulfonic acid
CID 131183489
1-methyl-2-[(sulfamoylamino)methyl]cyclopropane
CID 115581735
2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane
CID 174832260
N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
CID 162624935
N-[(4,4-dimethylcyclohexyl)methyl]prop-2-yn-1-amine
CID 130164900

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane?
The IUPAC name of 1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane (CID 127671510) is 1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane.
What is the SMILES notation for 1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane?
The canonical SMILES for 1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane is CC1(C)CCC(CNS(N)(=O)=O)CC1.
What is the InChIKey of 1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane?
The InChIKey is LHZSSGBZFYBPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(2)5-3-8(4-6-9)7-11-14(10,12)13/h8,11H,3-7H2,1-2H3,(H2,10,12,13).
What are the key properties of 1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane?
1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane has a molecular weight of 220.34 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane is sourced from PubChem (CID 127671510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).