4-hydroxy-N-(thiolan-3-ylmethyl)butanamide

C9H17NO2S — CID 107298400

IUPAC4-hydroxy-N-(thiolan-3-ylmethyl)butanamide
SMILESO=C(CCCO)NCC1CCSC1
InChIInChI=1S/C9H17NO2S/c11-4-1-2-9(12)10-6-8-3-5-13-7-8/h8,11H,1-7H2,(H,10,12)
InChIKeyYARCBIMPZZHJLF-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.63
Rot. Bonds5

About 4-hydroxy-N-(thiolan-3-ylmethyl)butanamide

4-hydroxy-N-(thiolan-3-ylmethyl)butanamide (PubChem CID 107298400) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 4-hydroxy-N-(thiolan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(thiolan-3-ylmethyl)butanamide
PubChem CID107298400
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name4-hydroxy-N-(thiolan-3-ylmethyl)butanamide
SMILESO=C(CCCO)NCC1CCSC1
InChIInChI=1S/C9H17NO2S/c11-4-1-2-9(12)10-6-8-3-5-13-7-8/h8,11H,1-7H2,(H,10,12)
InChIKeyYARCBIMPZZHJLF-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thiolan-3-ylmethyl)butanamide
CID 107298413
N-(thiolan-3-ylmethyl)prop-2-enamide
CID 107295518
4-hydroxy-N-[(4-hydroxycyclohexyl)methyl]butanamide
CID 106137727
3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide
CID 107296077
2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide
CID 107296090
3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296097
3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide
CID 107297678
1-cyclopropyl-3-(thiolan-3-ylmethyl)urea
CID 107295545
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107296095
3-(thiolan-3-ylmethylcarbamoylamino)propanoic acid
CID 107297506
5-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297414
N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 107296147

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(thiolan-3-ylmethyl)butanamide?
The IUPAC name of 4-hydroxy-N-(thiolan-3-ylmethyl)butanamide (CID 107298400) is 4-hydroxy-N-(thiolan-3-ylmethyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(thiolan-3-ylmethyl)butanamide?
The canonical SMILES for 4-hydroxy-N-(thiolan-3-ylmethyl)butanamide is O=C(CCCO)NCC1CCSC1.
What is the InChIKey of 4-hydroxy-N-(thiolan-3-ylmethyl)butanamide?
The InChIKey is YARCBIMPZZHJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-4-1-2-9(12)10-6-8-3-5-13-7-8/h8,11H,1-7H2,(H,10,12).
What are the key properties of 4-hydroxy-N-(thiolan-3-ylmethyl)butanamide?
4-hydroxy-N-(thiolan-3-ylmethyl)butanamide has a molecular weight of 203.31 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(thiolan-3-ylmethyl)butanamide is sourced from PubChem (CID 107298400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).