methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate

C13H20N2O3S — CID 112543285

IUPACmethyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate
SMILESCOC(=O)NC1CC(C(C)O)CN(c2ccsc2)C1
InChIInChI=1S/C13H20N2O3S/c1-9(16)10-5-11(14-13(17)18-2)7-15(6-10)12-3-4-19-8-12/h3-4,8-11,16H,5-7H2,1-2H3,(H,14,17)
InChIKeyYTWXLXSNCVYIDG-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.68
Rot. Bonds3

About methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate

methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate (PubChem CID 112543285) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate
PubChem CID112543285
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate
SMILESCOC(=O)NC1CC(C(C)O)CN(c2ccsc2)C1
InChIInChI=1S/C13H20N2O3S/c1-9(16)10-5-11(14-13(17)18-2)7-15(6-10)12-3-4-19-8-12/h3-4,8-11,16H,5-7H2,1-2H3,(H,14,17)
InChIKeyYTWXLXSNCVYIDG-UHFFFAOYSA-N
XLogP1.68
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol
CID 83995157
tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate
CID 112544558
N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)acetamide
CID 112541870
methyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112543405
methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate
CID 112543245
5-ethyl-N-(2-methylpropyl)-1-thiophen-3-ylpiperidin-3-amine
CID 83994460
methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112542976
methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 112543141
methyl N-[1-(4-nitrophenyl)azetidin-3-yl]carbamate
CID 140514379
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799
N-cyclohexyl-5-methyl-1-thiophen-3-ylpiperidin-3-amine
CID 83999300
ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112543725

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate?
The IUPAC name of methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate (CID 112543285) is methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate is COC(=O)NC1CC(C(C)O)CN(c2ccsc2)C1.
What is the InChIKey of methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate?
The InChIKey is YTWXLXSNCVYIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(16)10-5-11(14-13(17)18-2)7-15(6-10)12-3-4-19-8-12/h3-4,8-11,16H,5-7H2,1-2H3,(H,14,17).
What are the key properties of methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate?
methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate has a molecular weight of 284.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112543285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).