N-(3-bromopropyl)ethanesulfinamide

C5H12BrNOS — CID 130761924

IUPACN-(3-bromopropyl)ethanesulfinamide
SMILESCCS(=O)NCCCBr
InChIInChI=1S/C5H12BrNOS/c1-2-9(8)7-5-3-4-6/h7H,2-5H2,1H3
InChIKeySWAXKSRPEIVMNQ-UHFFFAOYSA-N
MW214.13 g/mol
LogP1.04
Rot. Bonds5

About N-(3-bromopropyl)ethanesulfinamide

N-(3-bromopropyl)ethanesulfinamide (PubChem CID 130761924) has the molecular formula C5H12BrNOS and a molecular weight of 214.13 g/mol. Its IUPAC name is N-(3-bromopropyl)ethanesulfinamide.

Molecular Properties

Compound NameN-(3-bromopropyl)ethanesulfinamide
PubChem CID130761924
Molecular FormulaC5H12BrNOS
Molecular Weight214.13 g/mol
Exact Mass212.98
IUPAC NameN-(3-bromopropyl)ethanesulfinamide
SMILESCCS(=O)NCCCBr
InChIInChI=1S/C5H12BrNOS/c1-2-9(8)7-5-3-4-6/h7H,2-5H2,1H3
InChIKeySWAXKSRPEIVMNQ-UHFFFAOYSA-N
XLogP1.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 51.04
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)ethanesulfinamide?
The IUPAC name of N-(3-bromopropyl)ethanesulfinamide (CID 130761924) is N-(3-bromopropyl)ethanesulfinamide.
What is the SMILES notation for N-(3-bromopropyl)ethanesulfinamide?
The canonical SMILES for N-(3-bromopropyl)ethanesulfinamide is CCS(=O)NCCCBr.
What is the InChIKey of N-(3-bromopropyl)ethanesulfinamide?
The InChIKey is SWAXKSRPEIVMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BrNOS/c1-2-9(8)7-5-3-4-6/h7H,2-5H2,1H3.
What are the key properties of N-(3-bromopropyl)ethanesulfinamide?
N-(3-bromopropyl)ethanesulfinamide has a molecular weight of 214.13 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)ethanesulfinamide is sourced from PubChem (CID 130761924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).