cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine

C19H26N2O5S2 — CID 124856734

IUPACcis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine
SMILESCN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H]1CCCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C19H26N2O5S2/c1-21(17-6-4-5-7-18(17)28(3,24)25)12-15-13-26-19(20-15)14-8-10-16(11-9-14)27(2,22)23/h8-11,13,17-18H,4-7,12H2,1-3H3/t17-,18+/m0/s1
InChIKeyQOMGLHGUYZOJMY-ZWKOTPCHSA-N
MW426.56 g/mol
LogP2.53
Rot. Bonds6

About cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine

cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine (PubChem CID 124856734) has the molecular formula C19H26N2O5S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine
PubChem CID124856734
Molecular FormulaC19H26N2O5S2
Molecular Weight426.56 g/mol
Exact Mass426.13
IUPAC Namecis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine
SMILESCN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H]1CCCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C19H26N2O5S2/c1-21(17-6-4-5-7-18(17)28(3,24)25)12-15-13-26-19(20-15)14-8-10-16(11-9-14)27(2,22)23/h8-11,13,17-18H,4-7,12H2,1-3H3/t17-,18+/m0/s1
InChIKeyQOMGLHGUYZOJMY-ZWKOTPCHSA-N
XLogP2.53
TPSA97.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2S)-N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 96998546
2-(4-methylphenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-oxazole
CID 47023809
cis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 124777349
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 129422118
(3R)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 95276186
trans-(1S,2S)-N-methyl-2-methylsulfonyl-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 96567800
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 129427598
4-[(2-methyl-3-pyridinyl)oxymethyl]-2-(4-methylsulfonylphenyl)-1,3-oxazole
CID 86787021
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
CID 66188313
2-[cyclopentyl-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]amino]acetamide
CID 56813192
trans-(1S,2S)-N-methyl-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfonylcyclohexan-1-amine
CID 97003694
N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 63643903

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine (CID 124856734) is cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine is CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H]1CCCC[C@H]1S(C)(=O)=O.
What is the InChIKey of cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine?
The InChIKey is QOMGLHGUYZOJMY-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H26N2O5S2/c1-21(17-6-4-5-7-18(17)28(3,24)25)12-15-13-26-19(20-15)14-8-10-16(11-9-14)27(2,22)23/h8-11,13,17-18H,4-7,12H2,1-3H3/t17-,18+/m0/s1.
What are the key properties of cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine?
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine has a molecular weight of 426.56 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 124856734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).