2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol

C12H25NOS — CID 64615464

IUPAC2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol
SMILESCCCNC1CCC(C)CC1SCCO
InChIInChI=1S/C12H25NOS/c1-3-6-13-11-5-4-10(2)9-12(11)15-8-7-14/h10-14H,3-9H2,1-2H3
InChIKeyRDZRINPABYOFNY-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.27
Rot. Bonds6

About 2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol

2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol (PubChem CID 64615464) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol.

Molecular Properties

Compound Name2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol
PubChem CID64615464
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol
SMILESCCCNC1CCC(C)CC1SCCO
InChIInChI=1S/C12H25NOS/c1-3-6-13-11-5-4-10(2)9-12(11)15-8-7-14/h10-14H,3-9H2,1-2H3
InChIKeyRDZRINPABYOFNY-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol 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-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine
CID 64613470
3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
CID 66103015
4-tert-butyl-2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611522
4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 114001243
2-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine
CID 64620847
4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine
CID 62784580
3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol
CID 66135997
4-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616677
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine
CID 64633026
ethyl 2-[5-tert-butyl-2-(propylamino)cyclohexyl]sulfanylacetate
CID 64615662
2-(3-hydroxypropylsulfanyl)-4-methylcyclohexane-1-carbonitrile
CID 66113401

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol?
The IUPAC name of 2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol (CID 64615464) is 2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol.
What is the SMILES notation for 2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol?
The canonical SMILES for 2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol is CCCNC1CCC(C)CC1SCCO.
What is the InChIKey of 2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol?
The InChIKey is RDZRINPABYOFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-3-6-13-11-5-4-10(2)9-12(11)15-8-7-14/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol?
2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol has a molecular weight of 231.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol is sourced from PubChem (CID 64615464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).