N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide

C10H20BrNO2S — CID 80667163

IUPACN-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(CCBr)C1CC1
InChIInChI=1S/C10H20BrNO2S/c1-9(2)5-8-15(13,14)12(7-6-11)10-3-4-10/h9-10H,3-8H2,1-2H3
InChIKeyQOBWZEKMPWUCOL-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.22
Rot. Bonds7

About N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide

N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide (PubChem CID 80667163) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide
PubChem CID80667163
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(CCBr)C1CC1
InChIInChI=1S/C10H20BrNO2S/c1-9(2)5-8-15(13,14)12(7-6-11)10-3-4-10/h9-10H,3-8H2,1-2H3
InChIKeyQOBWZEKMPWUCOL-UHFFFAOYSA-N
XLogP2.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.22
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-2-methylpropane-1-sulfonamide
CID 80668009
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid
CID 63857314
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanethioamide
CID 63857330
N-(2-bromoethyl)-N-cyclopropylethanesulfonamide
CID 80667041
2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide
CID 79014657
N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide
CID 102873490
3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
CID 63855512
N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide
CID 102873556
1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 63665355
3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid
CID 60951410
N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide
CID 102873497
N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide
CID 106441706

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide (CID 80667163) is N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)N(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide?
The InChIKey is QOBWZEKMPWUCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-9(2)5-8-15(13,14)12(7-6-11)10-3-4-10/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide?
N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide has a molecular weight of 298.25 g/mol, XLogP of 2.22, 7 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-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 80667163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).