N-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide

C7H14BrNO2S — CID 177106219

IUPACN-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide
SMILESCC(C)(CNC=O)OCSCBr
InChIInChI=1S/C7H14BrNO2S/c1-7(2,3-9-5-10)11-6-12-4-8/h5H,3-4,6H2,1-2H3,(H,9,10)
InChIKeyNMIAEVFCIQSFJE-UHFFFAOYSA-N
MW256.16 g/mol
LogP1.57
Rot. Bonds7

About N-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide

N-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide (PubChem CID 177106219) has the molecular formula C7H14BrNO2S and a molecular weight of 256.16 g/mol. Its IUPAC name is N-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide.

Molecular Properties

Compound NameN-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide
PubChem CID177106219
Molecular FormulaC7H14BrNO2S
Molecular Weight256.16 g/mol
Exact Mass254.99
IUPAC NameN-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide
SMILESCC(C)(CNC=O)OCSCBr
InChIInChI=1S/C7H14BrNO2S/c1-7(2,3-9-5-10)11-6-12-4-8/h5H,3-4,6H2,1-2H3,(H,9,10)
InChIKeyNMIAEVFCIQSFJE-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]formamide
CID 57228520
3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 146503782
2,2-dimethylpropane;ethane;N-ethylformamide
CID 142479182
N-(2-fluoro-2,3,3-trimethylbutyl)formamide
CID 156718150
N-[2-(2-hydroxyethylamino)-2-methylpropyl]formamide
CID 143275696
6-formamido-3,3,5,5-tetramethylhexanoic acid
CID 172574666
N-(2-hydroxy-2,4-dimethylpentyl)formamide
CID 66180858
N-[(3,3-dimethylbutylamino)methyl]formamide
CID 167581609
N-[2-(2-methyl-1-propan-2-yloxypropan-2-yl)oxyethyl]formamide
CID 129273951
ethane;N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide
CID 153396785
3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid
CID 114941755
tert-butyl 2-formamidoacetate
CID 11469223

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide?
The IUPAC name of N-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide (CID 177106219) is N-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide.
What is the SMILES notation for N-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide?
The canonical SMILES for N-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide is CC(C)(CNC=O)OCSCBr.
What is the InChIKey of N-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide?
The InChIKey is NMIAEVFCIQSFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2S/c1-7(2,3-9-5-10)11-6-12-4-8/h5H,3-4,6H2,1-2H3,(H,9,10).
What are the key properties of N-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide?
N-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide has a molecular weight of 256.16 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethylsulfanylmethoxy)-2-methylpropyl]formamide is sourced from PubChem (CID 177106219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).