N-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide

C10H16ClNO3S — CID 103164394

IUPACN-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)NC1CS(=O)(=O)CC1Cl
InChIInChI=1S/C10H16ClNO3S/c11-8-5-16(14,15)6-9(8)12-10(13)4-7-2-1-3-7/h7-9H,1-6H2,(H,12,13)
InChIKeyVPQFHZJVYRUDEE-UHFFFAOYSA-N
MW265.76 g/mol
LogP0.70
Rot. Bonds3

About N-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide

N-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide (PubChem CID 103164394) has the molecular formula C10H16ClNO3S and a molecular weight of 265.76 g/mol. Its IUPAC name is N-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide
PubChem CID103164394
Molecular FormulaC10H16ClNO3S
Molecular Weight265.76 g/mol
Exact Mass265.05
IUPAC NameN-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)NC1CS(=O)(=O)CC1Cl
InChIInChI=1S/C10H16ClNO3S/c11-8-5-16(14,15)6-9(8)12-10(13)4-7-2-1-3-7/h7-9H,1-6H2,(H,12,13)
InChIKeyVPQFHZJVYRUDEE-UHFFFAOYSA-N
XLogP0.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-1,1-dioxothiolan-3-yl)-2-(thian-4-yl)acetamide
CID 83135920
N-(4-chloro-1,1-dioxothiolan-3-yl)-3-cyclohexylpropanamide
CID 78910744
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]propanamide
CID 41009565
2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide
CID 95313255
N-(4-chloro-1,1-dioxothiolan-3-yl)cyclooctanecarboxamide
CID 113290261
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62370839
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 66260988
N-(2-bromocyclopentyl)-2-cyclobutylacetamide
CID 103164390
N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 3538538
N-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]-1,1-dioxothiolan-3-yl]-3-phenylprop-2-enamide
CID 171146740
N-(4-chloro-1,1-dioxothiolan-3-yl)-3,5,5-trimethylhexanamide
CID 78910750
2-[2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43091339

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide?
The IUPAC name of N-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide (CID 103164394) is N-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide.
What is the SMILES notation for N-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide?
The canonical SMILES for N-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide is O=C(CC1CCC1)NC1CS(=O)(=O)CC1Cl.
What is the InChIKey of N-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide?
The InChIKey is VPQFHZJVYRUDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3S/c11-8-5-16(14,15)6-9(8)12-10(13)4-7-2-1-3-7/h7-9H,1-6H2,(H,12,13).
What are the key properties of N-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide?
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide has a molecular weight of 265.76 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide is sourced from PubChem (CID 103164394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).