2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide

C13H23NO4S — CID 102634378

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CC1CCS(=O)(=O)C1)C1CCCCC1O
InChIInChI=1S/C13H23NO4S/c1-14(11-4-2-3-5-12(11)15)13(16)8-10-6-7-19(17,18)9-10/h10-12,15H,2-9H2,1H3
InChIKeyBNRXJCMOERSHAU-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.57
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide

2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 102634378) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
PubChem CID102634378
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CC1CCS(=O)(=O)C1)C1CCCCC1O
InChIInChI=1S/C13H23NO4S/c1-14(11-4-2-3-5-12(11)15)13(16)8-10-6-7-19(17,18)9-10/h10-12,15H,2-9H2,1H3
InChIKeyBNRXJCMOERSHAU-UHFFFAOYSA-N
XLogP0.57
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 103164780
2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 43649177
2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62332937
N-(4,4-difluorocyclohexyl)-2-[(3R)-1,1-dioxothian-3-yl]-N-methylacetamide
CID 164629458
2-(1-aminocyclobutyl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102632099
2-(ethylamino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102631990
N-(2-hydroxycyclohexyl)-2-methoxy-N-methylacetamide
CID 102634610
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone
CID 79403357
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 80520117
3-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
CID 102632066
methyl 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]-propylamino]acetate
CID 55006150
2-tert-butylsulfanyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102635096

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide (CID 102634378) is 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide is CN(C(=O)CC1CCS(=O)(=O)C1)C1CCCCC1O.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is BNRXJCMOERSHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-14(11-4-2-3-5-12(11)15)13(16)8-10-6-7-19(17,18)9-10/h10-12,15H,2-9H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 289.40 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 102634378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).