N-(3-bromopropyl)-2-methylpropane-2-sulfinamide

C7H16BrNOS — CID 88996323

IUPACN-(3-bromopropyl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCCCBr
InChIInChI=1S/C7H16BrNOS/c1-7(2,3)11(10)9-6-4-5-8/h9H,4-6H2,1-3H3
InChIKeyJQDVKJZWPYBHCD-UHFFFAOYSA-N
MW242.18 g/mol
LogP1.82
Rot. Bonds4

About N-(3-bromopropyl)-2-methylpropane-2-sulfinamide

N-(3-bromopropyl)-2-methylpropane-2-sulfinamide (PubChem CID 88996323) has the molecular formula C7H16BrNOS and a molecular weight of 242.18 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-methylpropane-2-sulfinamide
PubChem CID88996323
Molecular FormulaC7H16BrNOS
Molecular Weight242.18 g/mol
Exact Mass241.01
IUPAC NameN-(3-bromopropyl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCCCBr
InChIInChI=1S/C7H16BrNOS/c1-7(2,3)11(10)9-6-4-5-8/h9H,4-6H2,1-3H3
InChIKeyJQDVKJZWPYBHCD-UHFFFAOYSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(3-bromopropyl)-2-methylpropane-2-sulfinamide (CID 88996323) is N-(3-bromopropyl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(3-bromopropyl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(3-bromopropyl)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NCCCBr.
What is the InChIKey of N-(3-bromopropyl)-2-methylpropane-2-sulfinamide?
The InChIKey is JQDVKJZWPYBHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BrNOS/c1-7(2,3)11(10)9-6-4-5-8/h9H,4-6H2,1-3H3.
What are the key properties of N-(3-bromopropyl)-2-methylpropane-2-sulfinamide?
N-(3-bromopropyl)-2-methylpropane-2-sulfinamide has a molecular weight of 242.18 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 88996323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).