1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide

C14H16N2OS — CID 107854462

IUPAC1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)NC2Cc3ccccc3C2)CC1
InChIInChI=1S/C14H16N2OS/c15-12(18)14(5-6-14)13(17)16-11-7-9-3-1-2-4-10(9)8-11/h1-4,11H,5-8H2,(H2,15,18)(H,16,17)
InChIKeyGNFHNJNZDSODSC-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.34
Rot. Bonds3

About 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide (PubChem CID 107854462) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide
PubChem CID107854462
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)NC2Cc3ccccc3C2)CC1
InChIInChI=1S/C14H16N2OS/c15-12(18)14(5-6-14)13(17)16-11-7-9-3-1-2-4-10(9)8-11/h1-4,11H,5-8H2,(H2,15,18)(H,16,17)
InChIKeyGNFHNJNZDSODSC-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.34
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

1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide
CID 107854441
N-(2,3-dihydro-1H-inden-2-yl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 107856124
1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590872
CID 153368411
CID 153368411
2-amino-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 14599683
1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide
CID 80591550
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide
CID 80593162
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-2-methylmorpholine-2-carboxamide
CID 124995032
5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
CID 107854445
1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 104694678
N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 114009459

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide (CID 107854462) is 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide is NC(=S)C1(C(=O)NC2Cc3ccccc3C2)CC1.
What is the InChIKey of 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide?
The InChIKey is GNFHNJNZDSODSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c15-12(18)14(5-6-14)13(17)16-11-7-9-3-1-2-4-10(9)8-11/h1-4,11H,5-8H2,(H2,15,18)(H,16,17).
What are the key properties of 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 107854462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).