2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine

C13H27NO2S — CID 63191907

IUPAC2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CCCS(C)(=O)=O)C1
InChIInChI=1S/C13H27NO2S/c1-10(2)11-6-7-13(14)12(9-11)5-4-8-17(3,15)16/h10-13H,4-9,14H2,1-3H3
InChIKeyPZHVXWBMEOYWGM-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.21
Rot. Bonds5

About 2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine

2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63191907) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID63191907
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CCCS(C)(=O)=O)C1
InChIInChI=1S/C13H27NO2S/c1-10(2)11-6-7-13(14)12(9-11)5-4-8-17(3,15)16/h10-13H,4-9,14H2,1-3H3
InChIKeyPZHVXWBMEOYWGM-UHFFFAOYSA-N
XLogP2.21
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62739877
2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401726
2-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63191344
2-(2-methylsulfonylethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 64676309
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401544
4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine
CID 106454508
4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616692
2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine
CID 65097775
[1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine
CID 65425267
1-cyclopropyl-5-methylsulfonylpentan-1-amine
CID 63355317
N-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 79858757

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine (CID 63191907) is 2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(CCCS(C)(=O)=O)C1.
What is the InChIKey of 2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is PZHVXWBMEOYWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-10(2)11-6-7-13(14)12(9-11)5-4-8-17(3,15)16/h10-13H,4-9,14H2,1-3H3.
What are the key properties of 2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine?
2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63191907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).