1-bromo-N-(cyclopentylmethyl)methanesulfonamide

C7H14BrNO2S — CID 83092909

IUPAC1-bromo-N-(cyclopentylmethyl)methanesulfonamide
SMILESO=S(=O)(CBr)NCC1CCCC1
InChIInChI=1S/C7H14BrNO2S/c8-6-12(10,11)9-5-7-3-1-2-4-7/h7,9H,1-6H2
InChIKeyNXIAPATXWUOAHC-UHFFFAOYSA-N
MW256.16 g/mol
LogP1.45
Rot. Bonds4

About 1-bromo-N-(cyclopentylmethyl)methanesulfonamide

1-bromo-N-(cyclopentylmethyl)methanesulfonamide (PubChem CID 83092909) has the molecular formula C7H14BrNO2S and a molecular weight of 256.16 g/mol. Its IUPAC name is 1-bromo-N-(cyclopentylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(cyclopentylmethyl)methanesulfonamide
PubChem CID83092909
Molecular FormulaC7H14BrNO2S
Molecular Weight256.16 g/mol
Exact Mass254.99
IUPAC Name1-bromo-N-(cyclopentylmethyl)methanesulfonamide
SMILESO=S(=O)(CBr)NCC1CCCC1
InChIInChI=1S/C7H14BrNO2S/c8-6-12(10,11)9-5-7-3-1-2-4-7/h7,9H,1-6H2
InChIKeyNXIAPATXWUOAHC-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 51.45
H-Bond Donors ≤ 51
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 1-bromo-N-(cyclopentylmethyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(cyclopentylmethyl)methanesulfonamide (CID 83092909) is 1-bromo-N-(cyclopentylmethyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(cyclopentylmethyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(cyclopentylmethyl)methanesulfonamide is O=S(=O)(CBr)NCC1CCCC1.
What is the InChIKey of 1-bromo-N-(cyclopentylmethyl)methanesulfonamide?
The InChIKey is NXIAPATXWUOAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2S/c8-6-12(10,11)9-5-7-3-1-2-4-7/h7,9H,1-6H2.
What are the key properties of 1-bromo-N-(cyclopentylmethyl)methanesulfonamide?
1-bromo-N-(cyclopentylmethyl)methanesulfonamide has a molecular weight of 256.16 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(cyclopentylmethyl)methanesulfonamide is sourced from PubChem (CID 83092909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).