N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide

C10H17NO4S — CID 83201861

IUPACN-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NOC1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO4S/c12-10(8-5-6-16(13,14)7-8)11-15-9-3-1-2-4-9/h8-9H,1-7H2,(H,11,12)
InChIKeyMQLCSDVLPNXNJD-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.41
Rot. Bonds3

About N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide

N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide (PubChem CID 83201861) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide
PubChem CID83201861
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC NameN-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NOC1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO4S/c12-10(8-5-6-16(13,14)7-8)11-15-9-3-1-2-4-9/h8-9H,1-7H2,(H,11,12)
InChIKeyMQLCSDVLPNXNJD-UHFFFAOYSA-N
XLogP0.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide
CID 63257894
aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
(3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide
CID 9092671
N-cyano-1,1-dioxothiolane-3-carboxamide
CID 79195189
1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43169412
N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride
CID 119571971
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 103970156
N-[(2-chlorocyclohexyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 113272694
3-N-cyclopentyloxypiperidine-1,3-dicarboxamide
CID 83202179
N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide
CID 106443963
N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide
CID 43392962
N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110666960

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide (CID 83201861) is N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide is O=C(NOC1CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide?
The InChIKey is MQLCSDVLPNXNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(8-5-6-16(13,14)7-8)11-15-9-3-1-2-4-9/h8-9H,1-7H2,(H,11,12).
What are the key properties of N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide?
N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 83201861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).