N-(2-methyl-1-phenylpropyl)ethanethioamide

C12H17NS — CID 121010251

IUPACN-(2-methyl-1-phenylpropyl)ethanethioamide
SMILESCC(=S)NC(c1ccccc1)C(C)C
InChIInChI=1S/C12H17NS/c1-9(2)12(13-10(3)14)11-7-5-4-6-8-11/h4-9,12H,1-3H3,(H,13,14)
InChIKeyQDBHGLHQYOJPBO-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.32
Rot. Bonds3

About N-(2-methyl-1-phenylpropyl)ethanethioamide

N-(2-methyl-1-phenylpropyl)ethanethioamide (PubChem CID 121010251) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)ethanethioamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)ethanethioamide
PubChem CID121010251
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-(2-methyl-1-phenylpropyl)ethanethioamide
SMILESCC(=S)NC(c1ccccc1)C(C)C
InChIInChI=1S/C12H17NS/c1-9(2)12(13-10(3)14)11-7-5-4-6-8-11/h4-9,12H,1-3H3,(H,13,14)
InChIKeyQDBHGLHQYOJPBO-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide
CID 76888023
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
2-chloro-N-(2-methyl-1-phenylpropyl)propanamide
CID 43346667
(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride
CID 119273389
2-bromo-N-(2-methyl-1-phenylpropyl)acetamide
CID 10492239
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199
2-amino-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119273385
2-(methylamino)-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119693512
N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
N,N'-bis[(1S)-1-phenylethyl]ethanedithioamide
CID 101046425
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropyl)ethanethioamide?
The IUPAC name of N-(2-methyl-1-phenylpropyl)ethanethioamide (CID 121010251) is N-(2-methyl-1-phenylpropyl)ethanethioamide.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)ethanethioamide?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)ethanethioamide is CC(=S)NC(c1ccccc1)C(C)C.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)ethanethioamide?
The InChIKey is QDBHGLHQYOJPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-9(2)12(13-10(3)14)11-7-5-4-6-8-11/h4-9,12H,1-3H3,(H,13,14).
What are the key properties of N-(2-methyl-1-phenylpropyl)ethanethioamide?
N-(2-methyl-1-phenylpropyl)ethanethioamide has a molecular weight of 207.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)ethanethioamide is sourced from PubChem (CID 121010251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).