N-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine

C10H21NO3S2 — CID 64674130

IUPACN-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H21NO3S2/c1-11-9-5-3-4-6-10(9)15(12)7-8-16(2,13)14/h9-11H,3-8H2,1-2H3
InChIKeyRLVCGZAAEQXZHX-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.31
Rot. Bonds5

About N-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine

N-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine (PubChem CID 64674130) has the molecular formula C10H21NO3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine
PubChem CID64674130
Molecular FormulaC10H21NO3S2
Molecular Weight267.42 g/mol
Exact Mass267.10
IUPAC NameN-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H21NO3S2/c1-11-9-5-3-4-6-10(9)15(12)7-8-16(2,13)14/h9-11H,3-8H2,1-2H3
InChIKeyRLVCGZAAEQXZHX-UHFFFAOYSA-N
XLogP0.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine (CID 64674130) is N-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine is CNC1CCCCC1S(=O)CCS(C)(=O)=O.
What is the InChIKey of N-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine?
The InChIKey is RLVCGZAAEQXZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S2/c1-11-9-5-3-4-6-10(9)15(12)7-8-16(2,13)14/h9-11H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine?
N-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine is sourced from PubChem (CID 64674130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).