2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide

C12H21NO5S — CID 107301509

IUPAC2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCC1OCCC1(O)CNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO5S/c1-9-12(15,3-4-18-9)8-13-11(14)6-10-2-5-19(16,17)7-10/h9-10,15H,2-8H2,1H3,(H,13,14)
InChIKeyVMNLSNVXYFGZIF-UHFFFAOYSA-N
MW291.37 g/mol
LogP-0.53
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide

2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (PubChem CID 107301509) has the molecular formula C12H21NO5S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
PubChem CID107301509
Molecular FormulaC12H21NO5S
Molecular Weight291.37 g/mol
Exact Mass291.11
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCC1OCCC1(O)CNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO5S/c1-9-12(15,3-4-18-9)8-13-11(14)6-10-2-5-19(16,17)7-10/h9-10,15H,2-8H2,1H3,(H,13,14)
InChIKeyVMNLSNVXYFGZIF-UHFFFAOYSA-N
XLogP-0.53
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95622373
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(methylamino)propanamide
CID 106101711
2-[1-(aminomethyl)cyclobutyl]-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 114143583
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101708
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide
CID 114143597
2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60747544
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 107301644
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide
CID 106102911
2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593410

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (CID 107301509) is 2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is CC1OCCC1(O)CNC(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The InChIKey is VMNLSNVXYFGZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5S/c1-9-12(15,3-4-18-9)8-13-11(14)6-10-2-5-19(16,17)7-10/h9-10,15H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide has a molecular weight of 291.37 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 107301509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).