N-(cyclopropylcarbamothioyl)benzamide

C11H12N2OS — CID 3620996

IUPACN-(cyclopropylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NC1CC1)c1ccccc1
InChIInChI=1S/C11H12N2OS/c14-10(8-4-2-1-3-5-8)13-11(15)12-9-6-7-9/h1-5,9H,6-7H2,(H2,12,13,14,15)
InChIKeyRVJMZQUNVVIKPI-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.45
Rot. Bonds2

About N-(cyclopropylcarbamothioyl)benzamide

N-(cyclopropylcarbamothioyl)benzamide (PubChem CID 3620996) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-(cyclopropylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamothioyl)benzamide
PubChem CID3620996
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-(cyclopropylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NC1CC1)c1ccccc1
InChIInChI=1S/C11H12N2OS/c14-10(8-4-2-1-3-5-8)13-11(15)12-9-6-7-9/h1-5,9H,6-7H2,(H2,12,13,14,15)
InChIKeyRVJMZQUNVVIKPI-UHFFFAOYSA-N
XLogP1.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(benzoylcarbamothioylamino)piperidine-1-carboxylate
CID 75480976
[4-(benzoylcarbamothioylamino)cyclohexyl]methyl-tert-butylcarbamic acid
CID 54093188
N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951
N-[[4-(2-methylpropanoylamino)cyclohexyl]methylcarbamothioyl]benzamide
CID 22253971
4-chloro-N-(cyclopentylcarbamothioyl)benzamide
CID 4922300
1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea
CID 92519828
N-(cyclohexylcarbamothioyl)-4-methylbenzamide
CID 923682
methyl 4-(cyclopentylcarbamothioylcarbamoyl)benzoate
CID 17178596
N-(piperidin-4-ylcarbamoyl)benzamide
CID 12608582
N-(4-methylsulfanylcyclohexyl)benzamide
CID 114124420
N-(3-hydroxypropylcarbamothioyl)benzamide
CID 4927187
N-(4-cyclohexylcyclooctyl)benzamide
CID 166761299

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamothioyl)benzamide?
The IUPAC name of N-(cyclopropylcarbamothioyl)benzamide (CID 3620996) is N-(cyclopropylcarbamothioyl)benzamide.
What is the SMILES notation for N-(cyclopropylcarbamothioyl)benzamide?
The canonical SMILES for N-(cyclopropylcarbamothioyl)benzamide is O=C(NC(=S)NC1CC1)c1ccccc1.
What is the InChIKey of N-(cyclopropylcarbamothioyl)benzamide?
The InChIKey is RVJMZQUNVVIKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c14-10(8-4-2-1-3-5-8)13-11(15)12-9-6-7-9/h1-5,9H,6-7H2,(H2,12,13,14,15).
What are the key properties of N-(cyclopropylcarbamothioyl)benzamide?
N-(cyclopropylcarbamothioyl)benzamide has a molecular weight of 220.30 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamothioyl)benzamide is sourced from PubChem (CID 3620996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).