2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol

C14H27NOS — CID 114339633

IUPAC2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCSCCCN1CCCC1C1CCCCC1O
InChIInChI=1S/C14H27NOS/c1-17-11-5-10-15-9-4-7-13(15)12-6-2-3-8-14(12)16/h12-14,16H,2-11H2,1H3
InChIKeyBEIAXJZFXSMZGD-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.76
Rot. Bonds5

About 2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339633) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339633
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCSCCCN1CCCC1C1CCCCC1O
InChIInChI=1S/C14H27NOS/c1-17-11-5-10-15-9-4-7-13(15)12-6-2-3-8-14(12)16/h12-14,16H,2-11H2,1H3
InChIKeyBEIAXJZFXSMZGD-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-octylpiperidin-2-yl)cyclohexan-1-ol
CID 114339769
2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339524
2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339739
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 103024217
2-[1-(cyclohexylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339715
2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339029
ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate
CID 114339082
[1-(3-methylsulfanylpropyl)piperidin-2-yl]methanol
CID 115665425
[1-(3-methylsulfanylpropyl)azepan-2-yl]methanol
CID 116637761
1-(3-methylsulfanylpropyl)pyrrolidine-2-carboxylic acid
CID 65056170
3-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 114340046

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339633) is 2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol is CSCCCN1CCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is BEIAXJZFXSMZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-17-11-5-10-15-9-4-7-13(15)12-6-2-3-8-14(12)16/h12-14,16H,2-11H2,1H3.
What are the key properties of 2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 257.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).