cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C15H25NO3S — CID 51671181

IUPACcis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C1(C)C
InChIInChI=1S/C15H25NO3S/c1-10(2)8-11-12(14(11,3)4)13(17)16-15(5)6-7-20(18,19)9-15/h8,11-12H,6-7,9H2,1-5H3,(H,16,17)/t11-,12+,15-/m1/s1
InChIKeyRKZTWWMQOVWMNC-TYNCELHUSA-N
MW299.44 g/mol
LogP1.92
Rot. Bonds3

About cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 51671181) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID51671181
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Namecis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C1(C)C
InChIInChI=1S/C15H25NO3S/c1-10(2)8-11-12(14(11,3)4)13(17)16-15(5)6-7-20(18,19)9-15/h8,11-12H,6-7,9H2,1-5H3,(H,16,17)/t11-,12+,15-/m1/s1
InChIKeyRKZTWWMQOVWMNC-TYNCELHUSA-N
XLogP1.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 51671181) is cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=C[C@@H]1[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C1(C)C.
What is the InChIKey of cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is RKZTWWMQOVWMNC-TYNCELHUSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-10(2)8-11-12(14(11,3)4)13(17)16-15(5)6-7-20(18,19)9-15/h8,11-12H,6-7,9H2,1-5H3,(H,16,17)/t11-,12+,15-/m1/s1.
What are the key properties of cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-2,2-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 51671181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).