(sulfinoamino)methylcyclohexane

C7H15NO2S — CID 66859360

IUPAC(sulfinoamino)methylcyclohexane
SMILESO=S(O)NCC1CCCCC1
InChIInChI=1S/C7H15NO2S/c9-11(10)8-6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,9,10)
InChIKeyOQBVGXWTTKDZKG-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.29
Rot. Bonds3

About (sulfinoamino)methylcyclohexane

(sulfinoamino)methylcyclohexane (PubChem CID 66859360) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is (sulfinoamino)methylcyclohexane.

Molecular Properties

Compound Name(sulfinoamino)methylcyclohexane
PubChem CID66859360
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name(sulfinoamino)methylcyclohexane
SMILESO=S(O)NCC1CCCCC1
InChIInChI=1S/C7H15NO2S/c9-11(10)8-6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,9,10)
InChIKeyOQBVGXWTTKDZKG-UHFFFAOYSA-N
XLogP1.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

Sulfamic acid, (3-methylcyclohexyl)-
CID 158269
N-(2-methylcyclohexyl)sulfamic acid
CID 13115365
(2-Methylcyclohexyl)sulfamic acid, cis-
CID 13115367
(2-Methylcyclohexyl)sulfamic acid, trans-
CID 54364445
(3,3-Difluorocyclohexyl)methylsulfamic acid
CID 156663492
(4,4-Difluorocyclohexyl)methylsulfamic acid
CID 156663504
(4-Methylcyclohexyl)sulfamic acid
CID 170110
N-(cyclohexylmethyl)aminosulfonamide
CID 17894196
N-(cyclohexylmethyl)sulfamoyl chloride
CID 22279401
2-(Sulfinatoamino)ethylcyclohexane
CID 57019003
(Sulfinatoamino)methylcyclohexane
CID 66859359
(Cyclohexylmethyl)sulfamic acid
CID 67465635

Frequently Asked Questions

What is the IUPAC name of (sulfinoamino)methylcyclohexane?
The IUPAC name of (sulfinoamino)methylcyclohexane (CID 66859360) is (sulfinoamino)methylcyclohexane.
What is the SMILES notation for (sulfinoamino)methylcyclohexane?
The canonical SMILES for (sulfinoamino)methylcyclohexane is O=S(O)NCC1CCCCC1.
What is the InChIKey of (sulfinoamino)methylcyclohexane?
The InChIKey is OQBVGXWTTKDZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c9-11(10)8-6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,9,10).
What are the key properties of (sulfinoamino)methylcyclohexane?
(sulfinoamino)methylcyclohexane has a molecular weight of 177.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfinoamino)methylcyclohexane is sourced from PubChem (CID 66859360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).