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

C11H22N2O2S — CID 82695844

IUPAC4-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide
SMILESNC(=S)CCCN1CCC(OCCO)CC1
InChIInChI=1S/C11H22N2O2S/c12-11(16)2-1-5-13-6-3-10(4-7-13)15-9-8-14/h10,14H,1-9H2,(H2,12,16)
InChIKeyOFABWOBHAIFBEI-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.53
Rot. Bonds7

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

4-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide (PubChem CID 82695844) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide.

Molecular Properties

Compound Name4-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide
PubChem CID82695844
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name4-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide
SMILESNC(=S)CCCN1CCC(OCCO)CC1
InChIInChI=1S/C11H22N2O2S/c12-11(16)2-1-5-13-6-3-10(4-7-13)15-9-8-14/h10,14H,1-9H2,(H2,12,16)
InChIKeyOFABWOBHAIFBEI-UHFFFAOYSA-N
XLogP0.53
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.53
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 4-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide?
The IUPAC name of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide (CID 82695844) is 4-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide.
What is the SMILES notation for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide?
The canonical SMILES for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide is NC(=S)CCCN1CCC(OCCO)CC1.
What is the InChIKey of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide?
The InChIKey is OFABWOBHAIFBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c12-11(16)2-1-5-13-6-3-10(4-7-13)15-9-8-14/h10,14H,1-9H2,(H2,12,16).
What are the key properties of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide?
4-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide has a molecular weight of 246.38 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]butanethioamide is sourced from PubChem (CID 82695844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).