N-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide

C16H21NO3S2 — CID 40939084

IUPACN-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
SMILESO=C(NC1CCCC1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H21NO3S2/c18-16(17-12-5-1-2-6-12)14-7-3-4-8-15(14)21-13-9-10-22(19,20)11-13/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H,17,18)/t13-/m1/s1
InChIKeyKWAZAQAURKATJA-CYBMUJFWSA-N
MW339.48 g/mol
LogP2.64
Rot. Bonds4

About N-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide

N-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide (PubChem CID 40939084) has the molecular formula C16H21NO3S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
PubChem CID40939084
Molecular FormulaC16H21NO3S2
Molecular Weight339.48 g/mol
Exact Mass339.10
IUPAC NameN-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
SMILESO=C(NC1CCCC1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H21NO3S2/c18-16(17-12-5-1-2-6-12)14-7-3-4-8-15(14)21-13-9-10-22(19,20)11-13/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H,17,18)/t13-/m1/s1
InChIKeyKWAZAQAURKATJA-CYBMUJFWSA-N
XLogP2.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-prop-2-ynylbenzamide
CID 39967836
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
CID 9047941
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-phenylsulfanylethyl)benzamide
CID 45351416
[2-(cyclopropylamino)-2-oxoethyl] 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoate
CID 8665412
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(2-phenylsulfanylethyl)benzamide
CID 26820093
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)benzamide
CID 9043751
N-(2,5-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
CID 9042585
N-(4-tert-butylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
CID 9044149
N-(2-chloro-4-methylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide
CID 9044469
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzoate
CID 8665647
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720
benzyl 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoate
CID 8665350

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide?
The IUPAC name of N-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide (CID 40939084) is N-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide.
What is the SMILES notation for N-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide?
The canonical SMILES for N-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide is O=C(NC1CCCC1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide?
The InChIKey is KWAZAQAURKATJA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21NO3S2/c18-16(17-12-5-1-2-6-12)14-7-3-4-8-15(14)21-13-9-10-22(19,20)11-13/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H,17,18)/t13-/m1/s1.
What are the key properties of N-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide?
N-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide has a molecular weight of 339.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzamide is sourced from PubChem (CID 40939084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).