N-(2-bromopropyl)methanesulfonamide

C4H10BrNO2S — CID 114295652

IUPACN-(2-bromopropyl)methanesulfonamide
SMILESCC(Br)CNS(C)(=O)=O
InChIInChI=1S/C4H10BrNO2S/c1-4(5)3-6-9(2,7)8/h4,6H,3H2,1-2H3
InChIKeySIULBLWPPGYBRA-UHFFFAOYSA-N
MW216.10 g/mol
LogP0.32
Rot. Bonds3

About N-(2-bromopropyl)methanesulfonamide

N-(2-bromopropyl)methanesulfonamide (PubChem CID 114295652) has the molecular formula C4H10BrNO2S and a molecular weight of 216.10 g/mol. Its IUPAC name is N-(2-bromopropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromopropyl)methanesulfonamide
PubChem CID114295652
Molecular FormulaC4H10BrNO2S
Molecular Weight216.10 g/mol
Exact Mass214.96
IUPAC NameN-(2-bromopropyl)methanesulfonamide
SMILESCC(Br)CNS(C)(=O)=O
InChIInChI=1S/C4H10BrNO2S/c1-4(5)3-6-9(2,7)8/h4,6H,3H2,1-2H3
InChIKeySIULBLWPPGYBRA-UHFFFAOYSA-N
XLogP0.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.10
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-2-cyclopropylethyl)methanesulfonamide
CID 114294506
N-(2-bromo-3-methoxypropyl)methanesulfonamide
CID 114296203
N-(3-chloro-2-methylpropyl)methanesulfonamide
CID 65036670
N-[2-(2-methylpropylamino)ethyl]methanesulfonamide
CID 28731714
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 75431092
N-(2-bromopropyl)propanamide
CID 87559070
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767
N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
N-(5-bromo-4-methylpentyl)methanesulfonamide
CID 106158701
methyl 2-chloro-3-(methanesulfonamido)propanoate
CID 103493482
N-[(2S)-3-dimethylphosphoryl-2-propan-2-yloxypropyl]methanesulfonamide
CID 88991650

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)methanesulfonamide?
The IUPAC name of N-(2-bromopropyl)methanesulfonamide (CID 114295652) is N-(2-bromopropyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromopropyl)methanesulfonamide?
The canonical SMILES for N-(2-bromopropyl)methanesulfonamide is CC(Br)CNS(C)(=O)=O.
What is the InChIKey of N-(2-bromopropyl)methanesulfonamide?
The InChIKey is SIULBLWPPGYBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrNO2S/c1-4(5)3-6-9(2,7)8/h4,6H,3H2,1-2H3.
What are the key properties of N-(2-bromopropyl)methanesulfonamide?
N-(2-bromopropyl)methanesulfonamide has a molecular weight of 216.10 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)methanesulfonamide is sourced from PubChem (CID 114295652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).