2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide

C8H16BrNOS — CID 114329068

IUPAC2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide
SMILESCSCCN(C)C(=O)C(C)(C)Br
InChIInChI=1S/C8H16BrNOS/c1-8(2,9)7(11)10(3)5-6-12-4/h5-6H2,1-4H3
InChIKeyKVNBXIGHBGIQFF-UHFFFAOYSA-N
MW254.19 g/mol
LogP1.98
Rot. Bonds4

About 2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide

2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide (PubChem CID 114329068) has the molecular formula C8H16BrNOS and a molecular weight of 254.19 g/mol. Its IUPAC name is 2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide.

Molecular Properties

Compound Name2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide
PubChem CID114329068
Molecular FormulaC8H16BrNOS
Molecular Weight254.19 g/mol
Exact Mass253.01
IUPAC Name2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide
SMILESCSCCN(C)C(=O)C(C)(C)Br
InChIInChI=1S/C8H16BrNOS/c1-8(2,9)7(11)10(3)5-6-12-4/h5-6H2,1-4H3
InChIKeyKVNBXIGHBGIQFF-UHFFFAOYSA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 106915052
3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide
CID 112658917
4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
2-hydroxy-2-methyl-3-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]propanoic acid
CID 112662584
2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
CID 114328216
(2R)-3,3-dimethyl-2-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]butanoic acid
CID 103955197
2,2,2-trifluoroethyl N-methyl-N-(2-methylsulfanylethyl)carbamate
CID 112698304
2-tert-butyl-1-methyl-1-(2-methylsulfanylethyl)guanidine
CID 112660655
5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide
CID 103747395
3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656301
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide?
The IUPAC name of 2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide (CID 114329068) is 2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide.
What is the SMILES notation for 2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide?
The canonical SMILES for 2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide is CSCCN(C)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide?
The InChIKey is KVNBXIGHBGIQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNOS/c1-8(2,9)7(11)10(3)5-6-12-4/h5-6H2,1-4H3.
What are the key properties of 2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide?
2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide has a molecular weight of 254.19 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide is sourced from PubChem (CID 114329068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).