2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide

C11H21N3OS — CID 116509964

IUPAC2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(=S)NC1CC1
InChIInChI=1S/C11H21N3OS/c1-4-14(5-2)10(15)8(3)12-11(16)13-9-6-7-9/h8-9H,4-7H2,1-3H3,(H2,12,13,16)
InChIKeyBLBPHGOAZBICEH-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.87
Rot. Bonds5

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

2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide (PubChem CID 116509964) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide
PubChem CID116509964
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(=S)NC1CC1
InChIInChI=1S/C11H21N3OS/c1-4-14(5-2)10(15)8(3)12-11(16)13-9-6-7-9/h8-9H,4-7H2,1-3H3,(H2,12,13,16)
InChIKeyBLBPHGOAZBICEH-UHFFFAOYSA-N
XLogP0.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.87
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-(cyclopropylamino)-N,N-diethylpropanamide
CID 43113043
N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide
CID 116509918
2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide
CID 115585935
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-diethylpropanamide
CID 43420346
2-(cyclopropylcarbamothioylamino)propanamide
CID 116507427
2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide
CID 115593532
N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 64754869
2-amino-2-cyclopropyl-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide
CID 60867535
2-(cycloheptylamino)-N,N-diethylpropanamide
CID 43132181
(2R)-2-(cyclohexylcarbamothioylamino)propanoic acid
CID 40571788
2-(cyclohexylcarbamothioylamino)propanoic acid
CID 4134493
[(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-diethylpropanamide?
The IUPAC name of 2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide (CID 116509964) is 2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide?
The canonical SMILES for 2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NC(=S)NC1CC1.
What is the InChIKey of 2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide?
The InChIKey is BLBPHGOAZBICEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-4-14(5-2)10(15)8(3)12-11(16)13-9-6-7-9/h8-9H,4-7H2,1-3H3,(H2,12,13,16).
What are the key properties of 2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide?
2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide has a molecular weight of 243.38 g/mol, XLogP of 0.87, 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-diethylpropanamide is sourced from PubChem (CID 116509964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).