1-(methylsulfonylmethyl)cyclohexan-1-amine

C8H17NO2S — CID 70331586

IUPAC1-(methylsulfonylmethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C8H17NO2S/c1-12(10,11)7-8(9)5-3-2-4-6-8/h2-7,9H2,1H3
InChIKeyUQPZCZKELYMFHW-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.69
Rot. Bonds2

About 1-(methylsulfonylmethyl)cyclohexan-1-amine

1-(methylsulfonylmethyl)cyclohexan-1-amine (PubChem CID 70331586) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-(methylsulfonylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(methylsulfonylmethyl)cyclohexan-1-amine
PubChem CID70331586
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1-(methylsulfonylmethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C8H17NO2S/c1-12(10,11)7-8(9)5-3-2-4-6-8/h2-7,9H2,1H3
InChIKeyUQPZCZKELYMFHW-UHFFFAOYSA-N
XLogP0.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfonylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(methylsulfonylmethyl)cyclohexan-1-amine (CID 70331586) is 1-(methylsulfonylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(methylsulfonylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(methylsulfonylmethyl)cyclohexan-1-amine is CS(=O)(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(methylsulfonylmethyl)cyclohexan-1-amine?
The InChIKey is UQPZCZKELYMFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-12(10,11)7-8(9)5-3-2-4-6-8/h2-7,9H2,1H3.
What are the key properties of 1-(methylsulfonylmethyl)cyclohexan-1-amine?
1-(methylsulfonylmethyl)cyclohexan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfonylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 70331586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).