N-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide

C8H16BrNO2S — CID 80667113

IUPACN-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide
SMILESCC(Br)CN(C)S(=O)(=O)CC1CC1
InChIInChI=1S/C8H16BrNO2S/c1-7(9)5-10(2)13(11,12)6-8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyRHQZMPCPHBLVGI-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.44
Rot. Bonds5

About N-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide

N-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide (PubChem CID 80667113) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is N-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide
PubChem CID80667113
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC NameN-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide
SMILESCC(Br)CN(C)S(=O)(=O)CC1CC1
InChIInChI=1S/C8H16BrNO2S/c1-7(9)5-10(2)13(11,12)6-8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyRHQZMPCPHBLVGI-UHFFFAOYSA-N
XLogP1.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide?
The IUPAC name of N-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide (CID 80667113) is N-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide is CC(Br)CN(C)S(=O)(=O)CC1CC1.
What is the InChIKey of N-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide?
The InChIKey is RHQZMPCPHBLVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-7(9)5-10(2)13(11,12)6-8-3-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide?
N-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide has a molecular weight of 270.19 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide is sourced from PubChem (CID 80667113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).