2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide

C10H19N3OS — CID 115593532

IUPAC2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNC(=S)NC1CC1
InChIInChI=1S/C10H19N3OS/c1-3-13(4-2)9(14)7-11-10(15)12-8-5-6-8/h8H,3-7H2,1-2H3,(H2,11,12,15)
InChIKeyATKGQBSRDIZRFK-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.48
Rot. Bonds5

About 2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide

2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide (PubChem CID 115593532) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide
PubChem CID115593532
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNC(=S)NC1CC1
InChIInChI=1S/C10H19N3OS/c1-3-13(4-2)9(14)7-11-10(15)12-8-5-6-8/h8H,3-7H2,1-2H3,(H2,11,12,15)
InChIKeyATKGQBSRDIZRFK-UHFFFAOYSA-N
XLogP0.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.48
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

2-(cyclopropylcarbamothioylamino)-N-methylacetamide
CID 115571221
2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide
CID 116509964
cis-(1R,3S)-3-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320008
2-(cyclopentylcarbamothioylamino)-N-methylacetamide
CID 116507386
2-(cycloheptylamino)-N,N-diethylacetamide
CID 43236917
N,N-diethyl-2-[(4-propan-2-ylcyclohexyl)amino]acetamide
CID 112695082
3-(cyclopropylcarbamothioylamino)-N,N-diethylbenzamide
CID 8629357
N-[2-(diethylamino)-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47027648
N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide
CID 51123201
(3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide
CID 114085030
[1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 71905093
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 94871924

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide?
The IUPAC name of 2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide (CID 115593532) is 2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide?
The canonical SMILES for 2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide is CCN(CC)C(=O)CNC(=S)NC1CC1.
What is the InChIKey of 2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide?
The InChIKey is ATKGQBSRDIZRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-13(4-2)9(14)7-11-10(15)12-8-5-6-8/h8H,3-7H2,1-2H3,(H2,11,12,15).
What are the key properties of 2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide?
2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide has a molecular weight of 229.35 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide is sourced from PubChem (CID 115593532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).