4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine

C17H27NS — CID 64621345

IUPAC4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1Sc1ccccc1
InChIInChI=1S/C17H27NS/c1-3-12-18-16-11-10-14(4-2)13-17(16)19-15-8-6-5-7-9-15/h5-9,14,16-18H,3-4,10-13H2,1-2H3
InChIKeyMNZINAOKMLOEFJ-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.73
Rot. Bonds6

About 4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine

4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine (PubChem CID 64621345) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
PubChem CID64621345
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1Sc1ccccc1
InChIInChI=1S/C17H27NS/c1-3-12-18-16-11-10-14(4-2)13-17(16)19-15-8-6-5-7-9-15/h5-9,14,16-18H,3-4,10-13H2,1-2H3
InChIKeyMNZINAOKMLOEFJ-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-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-phenylsulfanylcyclohexan-1-amine
CID 64620754
4-tert-butyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621738
2-phenylsulfanyl-N-propylcyclopentan-1-amine
CID 22486376
4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64627044
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 106928037
N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64648516
N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
CID 64648574
2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64613092
(2-phenylsulfanyl-4-propylcyclohexyl)methanamine
CID 43530144
3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol
CID 66135997
3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
CID 66103015
4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64620075

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine (CID 64621345) is 4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine is CCCNC1CCC(CC)CC1Sc1ccccc1.
What is the InChIKey of 4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine?
The InChIKey is MNZINAOKMLOEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-3-12-18-16-11-10-14(4-2)13-17(16)19-15-8-6-5-7-9-15/h5-9,14,16-18H,3-4,10-13H2,1-2H3.
What are the key properties of 4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine?
4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64621345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).