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

C11H19NO3S — CID 3538538

IUPACN-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NC1CCCC1
InChIInChI=1S/C11H19NO3S/c13-11(12-10-3-1-2-4-10)7-9-5-6-16(14,15)8-9/h9-10H,1-8H2,(H,12,13)
InChIKeyQGLSGXWZQQFLJG-UHFFFAOYSA-N
MW245.34 g/mol
LogP0.87
Rot. Bonds3

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

N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 3538538) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID3538538
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC NameN-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NC1CCCC1
InChIInChI=1S/C11H19NO3S/c13-11(12-10-3-1-2-4-10)7-9-5-6-16(14,15)8-9/h9-10H,1-8H2,(H,12,13)
InChIKeyQGLSGXWZQQFLJG-UHFFFAOYSA-N
XLogP0.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222590
2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide
CID 43649180
2-(1,1-dioxothiolan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 62378969
2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110852811
N-[2-(cycloheptylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 81486869
N-cyclopentyl-2-cyclopropylacetamide
CID 60753480
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 107846359
N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 43179464
N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 55024086
1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea
CID 110748171
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,1-dioxothian-3-yl)acetamide;hydrochloride
CID 119784481

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide (CID 3538538) is N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide is O=C(CC1CCS(=O)(=O)C1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is QGLSGXWZQQFLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c13-11(12-10-3-1-2-4-10)7-9-5-6-16(14,15)8-9/h9-10H,1-8H2,(H,12,13).
What are the key properties of N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide?
N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 245.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 3538538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).