3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide

C14H20N2OS — CID 65487462

IUPAC3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide
SMILESCN(CCc1ccccc1)C(=O)C(C)(C)C(N)=S
InChIInChI=1S/C14H20N2OS/c1-14(2,12(15)18)13(17)16(3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,15,18)
InChIKeyOFNMRGCDGBJQQA-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.00
Rot. Bonds5

About 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide

3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide (PubChem CID 65487462) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide
PubChem CID65487462
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide
SMILESCN(CCc1ccccc1)C(=O)C(C)(C)C(N)=S
InChIInChI=1S/C14H20N2OS/c1-14(2,12(15)18)13(17)16(3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,15,18)
InChIKeyOFNMRGCDGBJQQA-UHFFFAOYSA-N
XLogP2.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide
CID 77070473
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 119706013
N,2-dimethyl-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 62846352
N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108962257
N,2,2-trimethyl-N-(2-phenylethyl)propanethioamide
CID 12606841
2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 65487463
1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 80591313
3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
CID 23220
benzyl N-[2-[(3-chloro-2,2-dimethyl-3-oxopropanoyl)-methylamino]ethyl]-N-methylcarbamate
CID 59256379
(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 79012795
2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
CID 114328216
2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide
CID 120591489

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide (CID 65487462) is 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide is CN(CCc1ccccc1)C(=O)C(C)(C)C(N)=S.
What is the InChIKey of 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide?
The InChIKey is OFNMRGCDGBJQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-14(2,12(15)18)13(17)16(3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,15,18).
What are the key properties of 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide?
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide has a molecular weight of 264.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 65487462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).