N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide

C11H20BrNO2S — CID 105361786

IUPACN-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide
SMILESO=S(=O)(NC1(CBr)CCCC1)C1CCCC1
InChIInChI=1S/C11H20BrNO2S/c12-9-11(7-3-4-8-11)13-16(14,15)10-5-1-2-6-10/h10,13H,1-9H2
InChIKeyNBJGOGQXPWGIKS-UHFFFAOYSA-N
MW310.26 g/mol
LogP2.56
Rot. Bonds4

About N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide

N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide (PubChem CID 105361786) has the molecular formula C11H20BrNO2S and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide
PubChem CID105361786
Molecular FormulaC11H20BrNO2S
Molecular Weight310.26 g/mol
Exact Mass309.04
IUPAC NameN-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide
SMILESO=S(=O)(NC1(CBr)CCCC1)C1CCCC1
InChIInChI=1S/C11H20BrNO2S/c12-9-11(7-3-4-8-11)13-16(14,15)10-5-1-2-6-10/h10,13H,1-9H2
InChIKeyNBJGOGQXPWGIKS-UHFFFAOYSA-N
XLogP2.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060155
N-[1-(bromomethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521796
N-[(2-bromocyclopentyl)methyl]cyclopentanesulfonamide
CID 105361764
N-[1-(bromomethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361765
N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide
CID 105361768
N-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide
CID 106135109
N-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide
CID 106170004
N-[2-(bromomethyl)cyclopentyl]cyclopentanesulfonamide
CID 106367459
N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
CID 113271630
N-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide
CID 114297063
N-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide
CID 114297078
N-[1-(bromomethyl)cyclopentyl]-2,2-dimethylpropane-1-sulfonamide
CID 114297081

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide (CID 105361786) is N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide is O=S(=O)(NC1(CBr)CCCC1)C1CCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide?
The InChIKey is NBJGOGQXPWGIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2S/c12-9-11(7-3-4-8-11)13-16(14,15)10-5-1-2-6-10/h10,13H,1-9H2.
What are the key properties of N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide?
N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide has a molecular weight of 310.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).