1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane

C9H20N2O3S — CID 65118103

IUPAC1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane
SMILESCN(C)S(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C9H20N2O3S/c1-11(2)15(13,14)10-8-9(12)6-4-3-5-7-9/h10,12H,3-8H2,1-2H3
InChIKeyOBYINWKCQPVALU-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.08
Rot. Bonds4

About 1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane

1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane (PubChem CID 65118103) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane.

Molecular Properties

Compound Name1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane
PubChem CID65118103
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane
SMILESCN(C)S(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C9H20N2O3S/c1-11(2)15(13,14)10-8-9(12)6-4-3-5-7-9/h10,12H,3-8H2,1-2H3
InChIKeyOBYINWKCQPVALU-UHFFFAOYSA-N
XLogP0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane?
The IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane (CID 65118103) is 1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane.
What is the SMILES notation for 1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane?
The canonical SMILES for 1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane is CN(C)S(=O)(=O)NCC1(O)CCCCC1.
What is the InChIKey of 1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane?
The InChIKey is OBYINWKCQPVALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-11(2)15(13,14)10-8-9(12)6-4-3-5-7-9/h10,12H,3-8H2,1-2H3.
What are the key properties of 1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane?
1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane has a molecular weight of 236.34 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylsulfamoylamino)methyl]-1-hydroxycyclohexane is sourced from PubChem (CID 65118103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).