2-methyl-2-(phenylcarbamothioylamino)propanamide

C11H15N3OS — CID 116508120

IUPAC2-methyl-2-(phenylcarbamothioylamino)propanamide
SMILESCC(C)(NC(=S)Nc1ccccc1)C(N)=O
InChIInChI=1S/C11H15N3OS/c1-11(2,9(12)15)14-10(16)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,15)(H2,13,14,16)
InChIKeyCYODPDQRSCERLG-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.24
Rot. Bonds3

About 2-methyl-2-(phenylcarbamothioylamino)propanamide

2-methyl-2-(phenylcarbamothioylamino)propanamide (PubChem CID 116508120) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-methyl-2-(phenylcarbamothioylamino)propanamide.

Molecular Properties

Compound Name2-methyl-2-(phenylcarbamothioylamino)propanamide
PubChem CID116508120
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-methyl-2-(phenylcarbamothioylamino)propanamide
SMILESCC(C)(NC(=S)Nc1ccccc1)C(N)=O
InChIInChI=1S/C11H15N3OS/c1-11(2,9(12)15)14-10(16)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,15)(H2,13,14,16)
InChIKeyCYODPDQRSCERLG-UHFFFAOYSA-N
XLogP1.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylthiourea
CID 5081972
2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide
CID 61219044
phenylurea;thiourea
CID 160770333
1-(cyclodecapentaenyl)-3-methylthiourea
CID 166736589
2-acetamido-2-methyl-N-phenylpropanamide
CID 67963180
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
1-ethylsulfonyl-3-phenylthiourea
CID 138725873
1-[3-(tert-butylcarbamothioylamino)phenyl]sulfonyl-3-phenylurea
CID 139878364
1-(methylamino)-3-phenylthiourea
CID 13456646
1-(4-aminophenyl)-3-phenylthiourea
CID 4566503
3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide
CID 62253500
2-[4-(tert-butylcarbamothioylamino)phenyl]acetic acid
CID 124749051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(phenylcarbamothioylamino)propanamide?
The IUPAC name of 2-methyl-2-(phenylcarbamothioylamino)propanamide (CID 116508120) is 2-methyl-2-(phenylcarbamothioylamino)propanamide.
What is the SMILES notation for 2-methyl-2-(phenylcarbamothioylamino)propanamide?
The canonical SMILES for 2-methyl-2-(phenylcarbamothioylamino)propanamide is CC(C)(NC(=S)Nc1ccccc1)C(N)=O.
What is the InChIKey of 2-methyl-2-(phenylcarbamothioylamino)propanamide?
The InChIKey is CYODPDQRSCERLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-11(2,9(12)15)14-10(16)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,15)(H2,13,14,16).
What are the key properties of 2-methyl-2-(phenylcarbamothioylamino)propanamide?
2-methyl-2-(phenylcarbamothioylamino)propanamide has a molecular weight of 237.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(phenylcarbamothioylamino)propanamide is sourced from PubChem (CID 116508120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).