N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide

C14H18N2OS — CID 55141357

IUPACN-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)N(C)Cc1cccc(C(N)=S)c1
InChIInChI=1S/C14H18N2OS/c1-9-6-12(9)14(17)16(2)8-10-4-3-5-11(7-10)13(15)18/h3-5,7,9,12H,6,8H2,1-2H3,(H2,15,18)
InChIKeyZWXZEKQLVMEKAL-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.94
Rot. Bonds4

About N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide

N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide (PubChem CID 55141357) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide
PubChem CID55141357
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)N(C)Cc1cccc(C(N)=S)c1
InChIInChI=1S/C14H18N2OS/c1-9-6-12(9)14(17)16(2)8-10-4-3-5-11(7-10)13(15)18/h3-5,7,9,12H,6,8H2,1-2H3,(H2,15,18)
InChIKeyZWXZEKQLVMEKAL-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-carbamothioylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 62967037
N-[(3-carbamothioylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 55141744
methyl N-[(3-carbamothioylphenyl)methyl]-N-methylcarbamate
CID 62967038
N-[(3-carbamothioylphenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 102921851
3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide
CID 96559788
N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-(thian-4-yl)acetamide
CID 83135893
2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 82237533
N-[(3-carbamothioylphenyl)methyl]-N-methylheptanamide
CID 114752780
N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112602723
5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide
CID 62967031
N-[(3-carbamothioylphenyl)methyl]-3-methoxy-N,3-dimethylbutanamide
CID 103020413
N-[(3-carbamothioylphenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 65239101

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide (CID 55141357) is N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide is CC1CC1C(=O)N(C)Cc1cccc(C(N)=S)c1.
What is the InChIKey of N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is ZWXZEKQLVMEKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-6-12(9)14(17)16(2)8-10-4-3-5-11(7-10)13(15)18/h3-5,7,9,12H,6,8H2,1-2H3,(H2,15,18).
What are the key properties of N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide?
N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 55141357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).