[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine

C18H27NO2S — CID 117113431

IUPAC[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine
SMILESCS(=O)(=O)CC1(c2ccc(C3(CN)CCCCC3)cc2)CC1
InChIInChI=1S/C18H27NO2S/c1-22(20,21)14-18(11-12-18)16-7-5-15(6-8-16)17(13-19)9-3-2-4-10-17/h5-8H,2-4,9-14,19H2,1H3
InChIKeyVHYJCEKVYSTKTL-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.92
Rot. Bonds5

About [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine

[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine (PubChem CID 117113431) has the molecular formula C18H27NO2S and a molecular weight of 321.49 g/mol. Its IUPAC name is [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine
PubChem CID117113431
Molecular FormulaC18H27NO2S
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine
SMILESCS(=O)(=O)CC1(c2ccc(C3(CN)CCCCC3)cc2)CC1
InChIInChI=1S/C18H27NO2S/c1-22(20,21)14-18(11-12-18)16-7-5-15(6-8-16)17(13-19)9-3-2-4-10-17/h5-8H,2-4,9-14,19H2,1H3
InChIKeyVHYJCEKVYSTKTL-UHFFFAOYSA-N
XLogP2.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine
CID 117113179
4-[1-(methylsulfonylmethyl)cyclopentyl]phenol
CID 115047394
[1-(4-ethylsulfonylphenyl)cyclopentyl]methanamine
CID 82501815
[4-[1-(aminomethyl)cyclobutyl]phenyl] methanesulfonate
CID 117391535
[1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine
CID 117431326
4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanol
CID 117113799
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
[1-(4-propylphenyl)cyclohexyl]methanamine
CID 82495619
N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine
CID 117108065

Frequently Asked Questions

What is the IUPAC name of [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine (CID 117113431) is [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine is CS(=O)(=O)CC1(c2ccc(C3(CN)CCCCC3)cc2)CC1.
What is the InChIKey of [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine?
The InChIKey is VHYJCEKVYSTKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2S/c1-22(20,21)14-18(11-12-18)16-7-5-15(6-8-16)17(13-19)9-3-2-4-10-17/h5-8H,2-4,9-14,19H2,1H3.
What are the key properties of [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine?
[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine has a molecular weight of 321.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117113431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).