N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide

C9H18BrNO2S — CID 80668009

IUPACN-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N(CCBr)C1CC1
InChIInChI=1S/C9H18BrNO2S/c1-8(2)7-14(12,13)11(6-5-10)9-3-4-9/h8-9H,3-7H2,1-2H3
InChIKeyIQMRKGMACVDZOR-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.83
Rot. Bonds6

About N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide

N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide (PubChem CID 80668009) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide
PubChem CID80668009
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC NameN-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N(CCBr)C1CC1
InChIInChI=1S/C9H18BrNO2S/c1-8(2)7-14(12,13)11(6-5-10)9-3-4-9/h8-9H,3-7H2,1-2H3
InChIKeyIQMRKGMACVDZOR-UHFFFAOYSA-N
XLogP1.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 51.83
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-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide
CID 80667163
N-(2-bromoethyl)-N-cyclopropylethanesulfonamide
CID 80667041
N-cyclobutyl-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide
CID 102675688
N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide
CID 102873490
N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide
CID 102873556
N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide
CID 102873497
1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 63665355
methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate
CID 80707967
3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide
CID 79585918
2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide
CID 79014657
N-(2-bromoethyl)-N-cyclopropylcyclohexanesulfonamide
CID 80667906
N-(3-bromopropyl)-N-cyclobutylethanesulfonamide
CID 102873368

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide (CID 80668009) is N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)N(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide?
The InChIKey is IQMRKGMACVDZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-8(2)7-14(12,13)11(6-5-10)9-3-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide?
N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide has a molecular weight of 284.22 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 80668009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).