N-(3-bromopropyl)propane-1-sulfinamide

C6H14BrNOS — CID 130834313

IUPACN-(3-bromopropyl)propane-1-sulfinamide
SMILESCCCS(=O)NCCCBr
InChIInChI=1S/C6H14BrNOS/c1-2-6-10(9)8-5-3-4-7/h8H,2-6H2,1H3
InChIKeyNSHNVTWYVFHULS-UHFFFAOYSA-N
MW228.15 g/mol
LogP1.43
Rot. Bonds6

About N-(3-bromopropyl)propane-1-sulfinamide

N-(3-bromopropyl)propane-1-sulfinamide (PubChem CID 130834313) has the molecular formula C6H14BrNOS and a molecular weight of 228.15 g/mol. Its IUPAC name is N-(3-bromopropyl)propane-1-sulfinamide.

Molecular Properties

Compound NameN-(3-bromopropyl)propane-1-sulfinamide
PubChem CID130834313
Molecular FormulaC6H14BrNOS
Molecular Weight228.15 g/mol
Exact Mass227.00
IUPAC NameN-(3-bromopropyl)propane-1-sulfinamide
SMILESCCCS(=O)NCCCBr
InChIInChI=1S/C6H14BrNOS/c1-2-6-10(9)8-5-3-4-7/h8H,2-6H2,1H3
InChIKeyNSHNVTWYVFHULS-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 51.43
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)propane-1-sulfinamide?
The IUPAC name of N-(3-bromopropyl)propane-1-sulfinamide (CID 130834313) is N-(3-bromopropyl)propane-1-sulfinamide.
What is the SMILES notation for N-(3-bromopropyl)propane-1-sulfinamide?
The canonical SMILES for N-(3-bromopropyl)propane-1-sulfinamide is CCCS(=O)NCCCBr.
What is the InChIKey of N-(3-bromopropyl)propane-1-sulfinamide?
The InChIKey is NSHNVTWYVFHULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNOS/c1-2-6-10(9)8-5-3-4-7/h8H,2-6H2,1H3.
What are the key properties of N-(3-bromopropyl)propane-1-sulfinamide?
N-(3-bromopropyl)propane-1-sulfinamide has a molecular weight of 228.15 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)propane-1-sulfinamide is sourced from PubChem (CID 130834313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).