N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide

C9H20BrNO2S — CID 106441706

IUPACN-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)CCCBr
InChIInChI=1S/C9H20BrNO2S/c1-9(2)5-8-14(12,13)11(3)7-4-6-10/h9H,4-8H2,1-3H3
InChIKeyLYFSHOMZSJPPAO-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.08
Rot. Bonds7

About N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide

N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide (PubChem CID 106441706) has the molecular formula C9H20BrNO2S and a molecular weight of 286.24 g/mol. Its IUPAC name is N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide
PubChem CID106441706
Molecular FormulaC9H20BrNO2S
Molecular Weight286.24 g/mol
Exact Mass285.04
IUPAC NameN-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)CCCBr
InChIInChI=1S/C9H20BrNO2S/c1-9(2)5-8-14(12,13)11(3)7-4-6-10/h9H,4-8H2,1-3H3
InChIKeyLYFSHOMZSJPPAO-UHFFFAOYSA-N
XLogP2.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-N-methyl-2-methylsulfonylethanesulfonamide
CID 106441750
N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide
CID 107206313
N-(2-bromo-3-methoxypropyl)-N,3-dimethylbutane-1-sulfonamide
CID 80673815
N-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide
CID 107206344
N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide
CID 77008670
methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate
CID 55150539
N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide
CID 80667163
N-(2-bromoethyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 80668783
N-[(3-bromocyclobutyl)methyl]-N,3-dimethylbutane-1-sulfonamide
CID 80675003
2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanethioamide
CID 63857328
N-methoxy-N,3-dimethylbutane-1-sulfonamide
CID 64591368
3-bromo-N-methyl-N-propan-2-ylpropan-1-amine
CID 61287527

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide (CID 106441706) is N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)N(C)CCCBr.
What is the InChIKey of N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide?
The InChIKey is LYFSHOMZSJPPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrNO2S/c1-9(2)5-8-14(12,13)11(3)7-4-6-10/h9H,4-8H2,1-3H3.
What are the key properties of N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide?
N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide has a molecular weight of 286.24 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 106441706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).