[cyano-(dimethylsulfamoylamino)methyl]cyclohexane

C10H19N3O2S — CID 61124128

IUPAC[cyano-(dimethylsulfamoylamino)methyl]cyclohexane
SMILESCN(C)S(=O)(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C10H19N3O2S/c1-13(2)16(14,15)12-10(8-11)9-6-4-3-5-7-9/h9-10,12H,3-7H2,1-2H3
InChIKeyHVYXFAZUFZGGCP-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.85
Rot. Bonds4

About [cyano-(dimethylsulfamoylamino)methyl]cyclohexane

[cyano-(dimethylsulfamoylamino)methyl]cyclohexane (PubChem CID 61124128) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is [cyano-(dimethylsulfamoylamino)methyl]cyclohexane.

Molecular Properties

Compound Name[cyano-(dimethylsulfamoylamino)methyl]cyclohexane
PubChem CID61124128
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name[cyano-(dimethylsulfamoylamino)methyl]cyclohexane
SMILESCN(C)S(=O)(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C10H19N3O2S/c1-13(2)16(14,15)12-10(8-11)9-6-4-3-5-7-9/h9-10,12H,3-7H2,1-2H3
InChIKeyHVYXFAZUFZGGCP-UHFFFAOYSA-N
XLogP0.85
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 [cyano-(dimethylsulfamoylamino)methyl]cyclohexane?
The IUPAC name of [cyano-(dimethylsulfamoylamino)methyl]cyclohexane (CID 61124128) is [cyano-(dimethylsulfamoylamino)methyl]cyclohexane.
What is the SMILES notation for [cyano-(dimethylsulfamoylamino)methyl]cyclohexane?
The canonical SMILES for [cyano-(dimethylsulfamoylamino)methyl]cyclohexane is CN(C)S(=O)(=O)NC(C#N)C1CCCCC1.
What is the InChIKey of [cyano-(dimethylsulfamoylamino)methyl]cyclohexane?
The InChIKey is HVYXFAZUFZGGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-13(2)16(14,15)12-10(8-11)9-6-4-3-5-7-9/h9-10,12H,3-7H2,1-2H3.
What are the key properties of [cyano-(dimethylsulfamoylamino)methyl]cyclohexane?
[cyano-(dimethylsulfamoylamino)methyl]cyclohexane has a molecular weight of 245.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano-(dimethylsulfamoylamino)methyl]cyclohexane is sourced from PubChem (CID 61124128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).