N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine

C9H19NO2S — CID 70997022

IUPACN-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine
SMILESCNC1(CS(C)(=O)=O)CCCCC1
InChIInChI=1S/C9H19NO2S/c1-10-9(8-13(2,11)12)6-4-3-5-7-9/h10H,3-8H2,1-2H3
InChIKeyGUVVFBCKUWGCNZ-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.95
Rot. Bonds3

About N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine

N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine (PubChem CID 70997022) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine
PubChem CID70997022
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine
SMILESCNC1(CS(C)(=O)=O)CCCCC1
InChIInChI=1S/C9H19NO2S/c1-10-9(8-13(2,11)12)6-4-3-5-7-9/h10H,3-8H2,1-2H3
InChIKeyGUVVFBCKUWGCNZ-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine (CID 70997022) is N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine is CNC1(CS(C)(=O)=O)CCCCC1.
What is the InChIKey of N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine?
The InChIKey is GUVVFBCKUWGCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-10-9(8-13(2,11)12)6-4-3-5-7-9/h10H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine?
N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 70997022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).