3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol

C15H31NOS — CID 66135997

IUPAC3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol
SMILESCCCNC1CCC(CC)CC1SC(C)CCO
InChIInChI=1S/C15H31NOS/c1-4-9-16-14-7-6-13(5-2)11-15(14)18-12(3)8-10-17/h12-17H,4-11H2,1-3H3
InChIKeyMGFJVGPTJVLVKG-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.44
Rot. Bonds8

About 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol

3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol (PubChem CID 66135997) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol
PubChem CID66135997
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC Name3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol
SMILESCCCNC1CCC(CC)CC1SC(C)CCO
InChIInChI=1S/C15H31NOS/c1-4-9-16-14-7-6-13(5-2)11-15(14)18-12(3)8-10-17/h12-17H,4-11H2,1-3H3
InChIKeyMGFJVGPTJVLVKG-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol 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

3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol
CID 66136887
3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol
CID 66136229
3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
CID 66103015
3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol
CID 66136218
3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol
CID 66137561
3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol
CID 66139118
3-[3-(propylamino)cyclohexyl]sulfanylbutan-1-ol
CID 66137117
4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621345
4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64634442
2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol
CID 64615464
4-ethyl-2-N-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63464854
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 106928037

Frequently Asked Questions

What is the IUPAC name of 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol?
The IUPAC name of 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol (CID 66135997) is 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol is CCCNC1CCC(CC)CC1SC(C)CCO.
What is the InChIKey of 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol?
The InChIKey is MGFJVGPTJVLVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NOS/c1-4-9-16-14-7-6-13(5-2)11-15(14)18-12(3)8-10-17/h12-17H,4-11H2,1-3H3.
What are the key properties of 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol?
3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol has a molecular weight of 273.49 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol is sourced from PubChem (CID 66135997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).