N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide

C8H15NO3S — CID 103848673

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C8H15NO3S/c1-13-4-7(10)9-5-8(11)2-3-12-6-8/h11H,2-6H2,1H3,(H,9,10)
InChIKeyNNZXNTKRDRUSOR-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.38
Rot. Bonds4

About N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide

N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide (PubChem CID 103848673) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
PubChem CID103848673
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C8H15NO3S/c1-13-4-7(10)9-5-8(11)2-3-12-6-8/h11H,2-6H2,1H3,(H,9,10)
InChIKeyNNZXNTKRDRUSOR-UHFFFAOYSA-N
XLogP-0.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide
CID 103848866
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106765719
N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 103849517
5-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide
CID 106103197
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103848897
2-cyclobutyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849320
3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375
N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide
CID 106102852
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 103849551
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
2-cyclohexyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849536
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide (CID 103848673) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide is CSCC(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide?
The InChIKey is NNZXNTKRDRUSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-13-4-7(10)9-5-8(11)2-3-12-6-8/h11H,2-6H2,1H3,(H,9,10).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide has a molecular weight of 205.28 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 103848673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).