N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine

C14H22N2S — CID 64650286

IUPACN-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Sc1ccccn1
InChIInChI=1S/C14H22N2S/c1-3-15-12-8-7-11(2)10-13(12)17-14-6-4-5-9-16-14/h4-6,9,11-13,15H,3,7-8,10H2,1-2H3
InChIKeyWLWATWWPBNKIMC-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.34
Rot. Bonds4

About N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine

N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine (PubChem CID 64650286) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
PubChem CID64650286
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Sc1ccccn1
InChIInChI=1S/C14H22N2S/c1-3-15-12-8-7-11(2)10-13(12)17-14-6-4-5-9-16-14/h4-6,9,11-13,15H,3,7-8,10H2,1-2H3
InChIKeyWLWATWWPBNKIMC-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-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

N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64648516
N-ethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64649496
2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64611550
N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106927497
2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 64650161
N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine
CID 64634362
2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64632990
N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64648028
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine
CID 64629453
N-ethyl-4-(2-methylbutan-2-yl)-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64627642
2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine
CID 64631654
N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine
CID 64620754

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine (CID 64650286) is N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine is CCNC1CCC(C)CC1Sc1ccccn1.
What is the InChIKey of N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine?
The InChIKey is WLWATWWPBNKIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-3-15-12-8-7-11(2)10-13(12)17-14-6-4-5-9-16-14/h4-6,9,11-13,15H,3,7-8,10H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine?
N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 64650286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).