2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide

C12H21NO4S2 — CID 114631231

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
SMILESCC1(C)C(O)CC1NC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO4S2/c1-12(2)9(5-10(12)14)13-11(15)6-18-8-3-4-19(16,17)7-8/h8-10,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyQKKAWBRKSDOFRA-UHFFFAOYSA-N
MW307.44 g/mol
LogP0.18
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide (PubChem CID 114631231) has the molecular formula C12H21NO4S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
PubChem CID114631231
Molecular FormulaC12H21NO4S2
Molecular Weight307.44 g/mol
Exact Mass307.09
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
SMILESCC1(C)C(O)CC1NC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO4S2/c1-12(2)9(5-10(12)14)13-11(15)6-18-8-3-4-19(16,17)7-8/h8-10,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyQKKAWBRKSDOFRA-UHFFFAOYSA-N
XLogP0.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 96525545
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 60666980
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide
CID 114630472
N-cyano-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 79194937
2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18777901
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103895256
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide
CID 79676127
2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 3094616
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
CID 52507892
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 98720693
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751648

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide (CID 114631231) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide is CC1(C)C(O)CC1NC(=O)CSC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The InChIKey is QKKAWBRKSDOFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S2/c1-12(2)9(5-10(12)14)13-11(15)6-18-8-3-4-19(16,17)7-8/h8-10,14H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide has a molecular weight of 307.44 g/mol, XLogP of 0.18, 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)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide is sourced from PubChem (CID 114631231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).