N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide

C14H25NO3S2 — CID 71898003

IUPACN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)N(C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H25NO3S2/c1-11(2)19-9-14(16)15(12-5-3-4-6-12)13-7-8-20(17,18)10-13/h11-13H,3-10H2,1-2H3
InChIKeyCKYTVZAODVXPKG-UHFFFAOYSA-N
MW319.49 g/mol
LogP2.09
Rot. Bonds5

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

N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide (PubChem CID 71898003) has the molecular formula C14H25NO3S2 and a molecular weight of 319.49 g/mol. Its IUPAC name is N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide
PubChem CID71898003
Molecular FormulaC14H25NO3S2
Molecular Weight319.49 g/mol
Exact Mass319.13
IUPAC NameN-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)N(C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H25NO3S2/c1-11(2)19-9-14(16)15(12-5-3-4-6-12)13-7-8-20(17,18)10-13/h11-13H,3-10H2,1-2H3
InChIKeyCKYTVZAODVXPKG-UHFFFAOYSA-N
XLogP2.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide (CID 71898003) is N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)N(C1CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide?
The InChIKey is CKYTVZAODVXPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S2/c1-11(2)19-9-14(16)15(12-5-3-4-6-12)13-7-8-20(17,18)10-13/h11-13H,3-10H2,1-2H3.
What are the key properties of N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide?
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide has a molecular weight of 319.49 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 71898003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).