N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine

C12H20N2OS — CID 106927564

IUPACN-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1nc(C)co1
InChIInChI=1S/C12H20N2OS/c1-3-13-10-6-4-5-7-11(10)16-12-14-9(2)8-15-12/h8,10-11,13H,3-7H2,1-2H3
InChIKeyCBEARIQOTUFWIP-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.00
Rot. Bonds4

About N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine

N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine (PubChem CID 106927564) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine
PubChem CID106927564
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1nc(C)co1
InChIInChI=1S/C12H20N2OS/c1-3-13-10-6-4-5-7-11(10)16-12-14-9(2)8-15-12/h8,10-11,13H,3-7H2,1-2H3
InChIKeyCBEARIQOTUFWIP-UHFFFAOYSA-N
XLogP3.00
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]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

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine
CID 106927686
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106927228
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol
CID 106923607
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 102926543
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine
CID 107784224
N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
CID 64619864
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784168
N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 64626127
N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine
CID 106927660
2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64649741
2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole
CID 131203577
2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclooctan-1-amine
CID 64648566

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine (CID 106927564) is N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine is CCNC1CCCCC1Sc1nc(C)co1.
What is the InChIKey of N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine?
The InChIKey is CBEARIQOTUFWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-13-10-6-4-5-7-11(10)16-12-14-9(2)8-15-12/h8,10-11,13H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine?
N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine is sourced from PubChem (CID 106927564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).