1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane

C10H19N3O2S — CID 61122288

IUPAC1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane
SMILESCC1CCC(C#N)(NS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H19N3O2S/c1-9-4-6-10(8-11,7-5-9)12-16(14,15)13(2)3/h9,12H,4-7H2,1-3H3
InChIKeyPDDYHSAIDGUGMF-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.85
Rot. Bonds3

About 1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane

1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane (PubChem CID 61122288) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane.

Molecular Properties

Compound Name1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane
PubChem CID61122288
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane
SMILESCC1CCC(C#N)(NS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H19N3O2S/c1-9-4-6-10(8-11,7-5-9)12-16(14,15)13(2)3/h9,12H,4-7H2,1-3H3
InChIKeyPDDYHSAIDGUGMF-UHFFFAOYSA-N
XLogP0.85
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane?
The IUPAC name of 1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane (CID 61122288) is 1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane.
What is the SMILES notation for 1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane?
The canonical SMILES for 1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane is CC1CCC(C#N)(NS(=O)(=O)N(C)C)CC1.
What is the InChIKey of 1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane?
The InChIKey is PDDYHSAIDGUGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-9-4-6-10(8-11,7-5-9)12-16(14,15)13(2)3/h9,12H,4-7H2,1-3H3.
What are the key properties of 1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane?
1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane has a molecular weight of 245.35 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane is sourced from PubChem (CID 61122288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).