N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide

C10H19BrN2O3S — CID 114297103

IUPACN-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NC1(CBr)CCCC1)N1CCOCC1
InChIInChI=1S/C10H19BrN2O3S/c11-9-10(3-1-2-4-10)12-17(14,15)13-5-7-16-8-6-13/h12H,1-9H2
InChIKeyISDMDHMLJAVKIM-UHFFFAOYSA-N
MW327.24 g/mol
LogP0.86
Rot. Bonds4

About N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide

N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide (PubChem CID 114297103) has the molecular formula C10H19BrN2O3S and a molecular weight of 327.24 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide
PubChem CID114297103
Molecular FormulaC10H19BrN2O3S
Molecular Weight327.24 g/mol
Exact Mass326.03
IUPAC NameN-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NC1(CBr)CCCC1)N1CCOCC1
InChIInChI=1S/C10H19BrN2O3S/c11-9-10(3-1-2-4-10)12-17(14,15)13-5-7-16-8-6-13/h12H,1-9H2
InChIKeyISDMDHMLJAVKIM-UHFFFAOYSA-N
XLogP0.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide (CID 114297103) is N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide is O=S(=O)(NC1(CBr)CCCC1)N1CCOCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide?
The InChIKey is ISDMDHMLJAVKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O3S/c11-9-10(3-1-2-4-10)12-17(14,15)13-5-7-16-8-6-13/h12H,1-9H2.
What are the key properties of N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide?
N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide has a molecular weight of 327.24 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide is sourced from PubChem (CID 114297103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).