2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide

C15H22N2O2S — CID 107929191

IUPAC2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide
SMILESCc1ccc(N2CCC(OCCO)CC2)c(C(N)=S)c1
InChIInChI=1S/C15H22N2O2S/c1-11-2-3-14(13(10-11)15(16)20)17-6-4-12(5-7-17)19-9-8-18/h2-3,10,12,18H,4-9H2,1H3,(H2,16,20)
InChIKeyKEVZVJCVMBLSRZ-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.61
Rot. Bonds5

About 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide

2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide (PubChem CID 107929191) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide
PubChem CID107929191
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide
SMILESCc1ccc(N2CCC(OCCO)CC2)c(C(N)=S)c1
InChIInChI=1S/C15H22N2O2S/c1-11-2-3-14(13(10-11)15(16)20)17-6-4-12(5-7-17)19-9-8-18/h2-3,10,12,18H,4-9H2,1H3,(H2,16,20)
InChIKeyKEVZVJCVMBLSRZ-UHFFFAOYSA-N
XLogP1.61
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarbothioamide
CID 114891992
2-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methylbenzenecarbothioamide
CID 107929374
5-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarbothioamide
CID 107929367
2-(3-ethoxypiperidin-1-yl)-5-methylbenzenecarbothioamide
CID 107928760
2-[3-(diethylamino)pyrrolidin-1-yl]-5-methylbenzenecarbothioamide
CID 107928962
2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzenecarbothioamide
CID 107929353
N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
CID 82696609
(2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82695761
2-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carbothioamide
CID 82696518
2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol
CID 83005053
5-methyl-2-(1,4-thiazepan-4-yl)benzenecarbothioamide
CID 107928635
4-chloro-2-(4-ethoxypiperidin-1-yl)benzenecarbothioamide
CID 63082012

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide?
The IUPAC name of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide (CID 107929191) is 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide.
What is the SMILES notation for 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide?
The canonical SMILES for 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide is Cc1ccc(N2CCC(OCCO)CC2)c(C(N)=S)c1.
What is the InChIKey of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide?
The InChIKey is KEVZVJCVMBLSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-2-3-14(13(10-11)15(16)20)17-6-4-12(5-7-17)19-9-8-18/h2-3,10,12,18H,4-9H2,1H3,(H2,16,20).
What are the key properties of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide?
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide has a molecular weight of 294.42 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methylbenzenecarbothioamide is sourced from PubChem (CID 107929191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).