2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide

C11H19NO3S2 — CID 18777901

IUPAC2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CSC1CCCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO3S2/c13-11(7-16-10-3-1-2-4-10)12-9-5-6-17(14,15)8-9/h9-10H,1-8H2,(H,12,13)
InChIKeyMIRFIFBRSJAWGD-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.97
Rot. Bonds4

About 2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide

2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 18777901) has the molecular formula C11H19NO3S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID18777901
Molecular FormulaC11H19NO3S2
Molecular Weight277.41 g/mol
Exact Mass277.08
IUPAC Name2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CSC1CCCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO3S2/c13-11(7-16-10-3-1-2-4-10)12-9-5-6-17(14,15)8-9/h9-10H,1-8H2,(H,12,13)
InChIKeyMIRFIFBRSJAWGD-UHFFFAOYSA-N
XLogP0.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 96525545
2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110852811
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride
CID 42943455
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316
N-(1,1-dioxothiolan-3-yl)-2-piperidin-2-ylacetamide
CID 43151243
3-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466548
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 43179464
N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 55024086
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide (CID 18777901) is 2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(CSC1CCCC1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is MIRFIFBRSJAWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S2/c13-11(7-16-10-3-1-2-4-10)12-9-5-6-17(14,15)8-9/h9-10H,1-8H2,(H,12,13).
What are the key properties of 2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide?
2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 277.41 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 18777901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).