4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine

C19H31N3O2S2 — CID 28811598

IUPAC4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine
SMILESO=S(=O)(CC1CC1)c1ncc(CN2CCSCC2)n1CC1CCCCC1
InChIInChI=1S/C19H31N3O2S2/c23-26(24,15-17-6-7-17)19-20-12-18(14-21-8-10-25-11-9-21)22(19)13-16-4-2-1-3-5-16/h12,16-17H,1-11,13-15H2
InChIKeyYUSPRGLWKYENTL-UHFFFAOYSA-N
MW397.61 g/mol
LogP3.20
Rot. Bonds7

About 4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine

4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine (PubChem CID 28811598) has the molecular formula C19H31N3O2S2 and a molecular weight of 397.61 g/mol. Its IUPAC name is 4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine
PubChem CID28811598
Molecular FormulaC19H31N3O2S2
Molecular Weight397.61 g/mol
Exact Mass397.19
IUPAC Name4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine
SMILESO=S(=O)(CC1CC1)c1ncc(CN2CCSCC2)n1CC1CCCCC1
InChIInChI=1S/C19H31N3O2S2/c23-26(24,15-17-6-7-17)19-20-12-18(14-21-8-10-25-11-9-21)22(19)13-16-4-2-1-3-5-16/h12,16-17H,1-11,13-15H2
InChIKeyYUSPRGLWKYENTL-UHFFFAOYSA-N
XLogP3.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.61
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine 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

2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
2-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}octahydropyrrolo[1,2-a]pyrazine
CID 45183265
1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45220137
({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)methyl[(1-methyl-1H-imidazol-2-yl)methyl]amine
CID 25287503
1-[(1-methyl-1H-imidazol-5-yl)methyl]-3-[(methylsulfonyl)methyl]piperidine
CID 77080723
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-ylcyclohexanamine
CID 28739725
1-(cyclohexylmethyl)-2-(methylsulfonyl)-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 25273953
({1-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)ethyl(methyl)amine
CID 25273955
({1-butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)isopropyl(methyl)amine
CID 25274212
1-acetyl-4-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-1,4-diazepane
CID 25274489
1-[2-(isopropylsulfonyl)-1-(3-methylbutyl)-1H-imidazol-5-yl]-N-methyl-N-(2-pyrazinylmethyl)methanamine
CID 26406669
4-(1-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)thiomorpholine
CID 28310699

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine?
The IUPAC name of 4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine (CID 28811598) is 4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine?
The canonical SMILES for 4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine is O=S(=O)(CC1CC1)c1ncc(CN2CCSCC2)n1CC1CCCCC1.
What is the InChIKey of 4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine?
The InChIKey is YUSPRGLWKYENTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S2/c23-26(24,15-17-6-7-17)19-20-12-18(14-21-8-10-25-11-9-21)22(19)13-16-4-2-1-3-5-16/h12,16-17H,1-11,13-15H2.
What are the key properties of 4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine?
4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine has a molecular weight of 397.61 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]thiomorpholine is sourced from PubChem (CID 28811598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).