2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide

C11H15N3OS — CID 114653992

IUPAC2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)n1cccc1C(N)=S
InChIInChI=1S/C11H15N3OS/c1-7(11(15)13-8-4-5-8)14-6-2-3-9(14)10(12)16/h2-3,6-8H,4-5H2,1H3,(H2,12,16)(H,13,15)
InChIKeyQPXPBYCNWAFZAT-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.96
Rot. Bonds4

About 2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide

2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide (PubChem CID 114653992) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide
PubChem CID114653992
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)n1cccc1C(N)=S
InChIInChI=1S/C11H15N3OS/c1-7(11(15)13-8-4-5-8)14-6-2-3-9(14)10(12)16/h2-3,6-8H,4-5H2,1H3,(H2,12,16)(H,13,15)
InChIKeyQPXPBYCNWAFZAT-UHFFFAOYSA-N
XLogP0.96
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
CID 7284564
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
CID 2635124
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)propanamide
CID 120761631
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119946341
2-[4-(1-amino-1-sulfanylidenepentan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 63341629
2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
CID 115569478
N-cyclopropyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide
CID 46395130
2-(3-aminoazetidin-1-yl)-N-cyclopropylpropanamide
CID 63761129
(2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 92723149
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839037
N-cyclopropyl-2-[4-(1H-indol-2-yl)piperidin-1-yl]propanamide
CID 51097283

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide?
The IUPAC name of 2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide (CID 114653992) is 2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)n1cccc1C(N)=S.
What is the InChIKey of 2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide?
The InChIKey is QPXPBYCNWAFZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7(11(15)13-8-4-5-8)14-6-2-3-9(14)10(12)16/h2-3,6-8H,4-5H2,1H3,(H2,12,16)(H,13,15).
What are the key properties of 2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide?
2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide has a molecular weight of 237.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylpyrrol-1-yl)-N-cyclopropylpropanamide is sourced from PubChem (CID 114653992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).