3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide

C11H22N2O2S — CID 82695492

IUPAC3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide
SMILESCC(CC(N)=S)N1CCC(OCCO)CC1
InChIInChI=1S/C11H22N2O2S/c1-9(8-11(12)16)13-4-2-10(3-5-13)15-7-6-14/h9-10,14H,2-8H2,1H3,(H2,12,16)
InChIKeyUCKLDDGDNDZIMD-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.52
Rot. Bonds6

About 3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide

3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide (PubChem CID 82695492) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide.

Molecular Properties

Compound Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide
PubChem CID82695492
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide
SMILESCC(CC(N)=S)N1CCC(OCCO)CC1
InChIInChI=1S/C11H22N2O2S/c1-9(8-11(12)16)13-4-2-10(3-5-13)15-7-6-14/h9-10,14H,2-8H2,1H3,(H2,12,16)
InChIKeyUCKLDDGDNDZIMD-UHFFFAOYSA-N
XLogP0.52
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide?
The IUPAC name of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide (CID 82695492) is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide.
What is the SMILES notation for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide?
The canonical SMILES for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide is CC(CC(N)=S)N1CCC(OCCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide?
The InChIKey is UCKLDDGDNDZIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9(8-11(12)16)13-4-2-10(3-5-13)15-7-6-14/h9-10,14H,2-8H2,1H3,(H2,12,16).
What are the key properties of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide?
3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide has a molecular weight of 246.38 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide is sourced from PubChem (CID 82695492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).