N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide

C10H19NO3S — CID 103848866

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H19NO3S/c1-8(2)15-5-9(12)11-6-10(13)3-4-14-7-10/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyHQMILVIIWVJOPT-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.40
Rot. Bonds5

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

N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide (PubChem CID 103848866) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide
PubChem CID103848866
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H19NO3S/c1-8(2)15-5-9(12)11-6-10(13)3-4-14-7-10/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyHQMILVIIWVJOPT-UHFFFAOYSA-N
XLogP0.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106765719
3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375
N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 103849517
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
(3S)-3-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methylhexanamide
CID 106101380
2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103849532
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 106101485
6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 106101353
5-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide
CID 106103197
2-butylsulfanyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039775

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide (CID 103848866) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide?
The InChIKey is HQMILVIIWVJOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-8(2)15-5-9(12)11-6-10(13)3-4-14-7-10/h8,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide has a molecular weight of 233.33 g/mol, XLogP of 0.40, 5 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-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 103848866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).