N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C13H23NO3S — CID 7222590

IUPACN-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)NC1CCCCCC1
InChIInChI=1S/C13H23NO3S/c15-13(9-11-7-8-18(16,17)10-11)14-12-5-3-1-2-4-6-12/h11-12H,1-10H2,(H,14,15)/t11-/m0/s1
InChIKeyFVVYXNRWKXAXCD-NSHDSACASA-N
MW273.40 g/mol
LogP1.65
Rot. Bonds3

About N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide

N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 7222590) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID7222590
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC NameN-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)NC1CCCCCC1
InChIInChI=1S/C13H23NO3S/c15-13(9-11-7-8-18(16,17)10-11)14-12-5-3-1-2-4-6-12/h11-12H,1-10H2,(H,14,15)/t11-/m0/s1
InChIKeyFVVYXNRWKXAXCD-NSHDSACASA-N
XLogP1.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 3538538
2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide
CID 43649180
N-[2-(cycloheptylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 81486869
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-cyclopentyl-2-cyclopropylacetamide
CID 60753480
N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 55024086
N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 43179464
1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea
CID 110748171
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-dioxothian-3-yl)amino]acetamide
CID 63921753

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 7222590) is N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide is O=C(C[C@@H]1CCS(=O)(=O)C1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is FVVYXNRWKXAXCD-NSHDSACASA-N. The full InChI is InChI=1S/C13H23NO3S/c15-13(9-11-7-8-18(16,17)10-11)14-12-5-3-1-2-4-6-12/h11-12H,1-10H2,(H,14,15)/t11-/m0/s1.
What are the key properties of N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 273.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 7222590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).