1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol

C14H27NOS — CID 112629475

IUPAC1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CC2(CS)CCCCC2)C1
InChIInChI=1S/C14H27NOS/c1-12(16)13-5-8-15(9-13)10-14(11-17)6-3-2-4-7-14/h12-13,16-17H,2-11H2,1H3
InChIKeyZYCKYIAGPGIQIS-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.57
Rot. Bonds4

About 1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol

1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 112629475) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID112629475
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CC2(CS)CCCCC2)C1
InChIInChI=1S/C14H27NOS/c1-12(16)13-5-8-15(9-13)10-14(11-17)6-3-2-4-7-14/h12-13,16-17H,2-11H2,1H3
InChIKeyZYCKYIAGPGIQIS-UHFFFAOYSA-N
XLogP2.57
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol 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

1-[1-[[1-(sulfanylmethyl)cycloheptyl]methyl]piperidin-4-yl]ethanol
CID 106839754
1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967293
1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967239
1-[1-[[1-(aminomethyl)cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837787
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628491
1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidine-3,4-diol
CID 106674387
1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837816
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanethiol
CID 115562971
[1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol
CID 130548652
1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol
CID 106837794
1-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
CID 103976483
(1R)-1-[(3R)-1-propylpiperidin-3-yl]ethanol
CID 51697339

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol (CID 112629475) is 1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(CC2(CS)CCCCC2)C1.
What is the InChIKey of 1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is ZYCKYIAGPGIQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-12(16)13-5-8-15(9-13)10-14(11-17)6-3-2-4-7-14/h12-13,16-17H,2-11H2,1H3.
What are the key properties of 1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol?
1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 257.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112629475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).