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

C15H25NO3S — CID 124820290

IUPACcis-(1R,3R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H]2CCS(=O)(=O)C2)C1(C)C
InChIInChI=1S/C15H25NO3S/c1-10(2)7-12-13(15(12,3)4)14(17)16-8-11-5-6-20(18,19)9-11/h7,11-13H,5-6,8-9H2,1-4H3,(H,16,17)/t11-,12-,13+/m1/s1
InChIKeyAUYUUROFVOXCJX-UPJWGTAASA-N
MW299.44 g/mol
LogP1.78
Rot. Bonds4

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

cis-(1R,3R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 124820290) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is cis-(1R,3R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID124820290
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Namecis-(1R,3R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H]2CCS(=O)(=O)C2)C1(C)C
InChIInChI=1S/C15H25NO3S/c1-10(2)7-12-13(15(12,3)4)14(17)16-8-11-5-6-20(18,19)9-11/h7,11-13H,5-6,8-9H2,1-4H3,(H,16,17)/t11-,12-,13+/m1/s1
InChIKeyAUYUUROFVOXCJX-UPJWGTAASA-N
XLogP1.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,3R)-N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 99809438
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
trans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 95146570
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide
CID 61058518
cis-(1R,3S)-3-(2,2-dichloroethenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 11875596
methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate
CID 94183727
cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 32561740
cis-(1R,3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 124860037
cis-(1R,3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 97022026
N-[[1-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
CID 94182591
3-amino-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 66007941
2-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 107904735

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 124820290) is cis-(1R,3R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H]2CCS(=O)(=O)C2)C1(C)C.
What is the InChIKey of cis-(1R,3R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is AUYUUROFVOXCJX-UPJWGTAASA-N. The full InChI is InChI=1S/C15H25NO3S/c1-10(2)7-12-13(15(12,3)4)14(17)16-8-11-5-6-20(18,19)9-11/h7,11-13H,5-6,8-9H2,1-4H3,(H,16,17)/t11-,12-,13+/m1/s1.
What are the key properties of cis-(1R,3R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
cis-(1R,3R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 124820290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).