N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline

C15H23NO3S — CID 106871684

IUPACN-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline
SMILESCOC1CCCC(Nc2cc(S(C)(=O)=O)ccc2C)C1
InChIInChI=1S/C15H23NO3S/c1-11-7-8-14(20(3,17)18)10-15(11)16-12-5-4-6-13(9-12)19-2/h7-8,10,12-13,16H,4-6,9H2,1-3H3
InChIKeyYEMSPHPNAUYYIG-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.77
Rot. Bonds4

About N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline

N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline (PubChem CID 106871684) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline
PubChem CID106871684
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline
SMILESCOC1CCCC(Nc2cc(S(C)(=O)=O)ccc2C)C1
InChIInChI=1S/C15H23NO3S/c1-11-7-8-14(20(3,17)18)10-15(11)16-12-5-4-6-13(9-12)19-2/h7-8,10,12-13,16H,4-6,9H2,1-3H3
InChIKeyYEMSPHPNAUYYIG-UHFFFAOYSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
CID 106871906
N-(2-methyl-5-methylsulfonylphenyl)oxan-4-amine
CID 43685079
N-(2-methyl-5-methylsulfonylphenyl)-1-oxothian-4-amine
CID 54981615
2-chloro-N-(3-methoxycyclobutyl)-5-methylsulfonylaniline
CID 106821322
N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide
CID 106871646
N-(3-methoxycyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 106872073
5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline
CID 107591263
3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide
CID 79459145
2-chloro-N-cyclohexyl-5-methylsulfonylaniline
CID 43682135
2-methyl-5-methylsulfonyl-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43685145
N-(2,2-dimethylcyclopentyl)-2-methyl-5-methylsulfonylaniline
CID 79860379
N-(cyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
CID 43685183

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline?
The IUPAC name of N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline (CID 106871684) is N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline.
What is the SMILES notation for N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline?
The canonical SMILES for N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline is COC1CCCC(Nc2cc(S(C)(=O)=O)ccc2C)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline?
The InChIKey is YEMSPHPNAUYYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11-7-8-14(20(3,17)18)10-15(11)16-12-5-4-6-13(9-12)19-2/h7-8,10,12-13,16H,4-6,9H2,1-3H3.
What are the key properties of N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline?
N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline has a molecular weight of 297.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline is sourced from PubChem (CID 106871684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).