1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine

C12H26N2O2S — CID 79858912

IUPAC1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine
SMILESCN(CCC1(N)CCCCC1)CCS(C)(=O)=O
InChIInChI=1S/C12H26N2O2S/c1-14(10-11-17(2,15)16)9-8-12(13)6-4-3-5-7-12/h3-11,13H2,1-2H3
InChIKeyYUPLCQQWEZFONF-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.01
Rot. Bonds6

About 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine

1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine (PubChem CID 79858912) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine
PubChem CID79858912
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine
SMILESCN(CCC1(N)CCCCC1)CCS(C)(=O)=O
InChIInChI=1S/C12H26N2O2S/c1-14(10-11-17(2,15)16)9-8-12(13)6-4-3-5-7-12/h3-11,13H2,1-2H3
InChIKeyYUPLCQQWEZFONF-UHFFFAOYSA-N
XLogP1.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclobutan-1-amine
CID 81170494
N-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine
CID 79858645
1-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63192064
1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine
CID 64677307
1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one
CID 116578935
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79859219
1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]cyclohexan-1-amine
CID 64677713
1-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclobutan-1-amine
CID 79844292
1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine
CID 64679512
1-[2-[methyl(2-thiophen-2-ylethyl)amino]ethyl]cyclohexan-1-amine
CID 79487873
1-[2-[benzyl(methyl)amino]ethyl]cyclopentan-1-amine
CID 64678874
4,4-dimethyl-1-(2-methylsulfonylethyl)cycloheptan-1-amine
CID 65083929

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine (CID 79858912) is 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine is CN(CCC1(N)CCCCC1)CCS(C)(=O)=O.
What is the InChIKey of 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine?
The InChIKey is YUPLCQQWEZFONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-14(10-11-17(2,15)16)9-8-12(13)6-4-3-5-7-12/h3-11,13H2,1-2H3.
What are the key properties of 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine?
1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 79858912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).