N-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide

C10H18BrNO2S — CID 106367448

IUPACN-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NC1CCCC1CBr
InChIInChI=1S/C10H18BrNO2S/c11-6-9-2-1-3-10(9)12-15(13,14)7-8-4-5-8/h8-10,12H,1-7H2
InChIKeyZVHAFWDHOANOFV-UHFFFAOYSA-N
MW296.23 g/mol
LogP1.88
Rot. Bonds5

About N-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide

N-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide (PubChem CID 106367448) has the molecular formula C10H18BrNO2S and a molecular weight of 296.23 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide
PubChem CID106367448
Molecular FormulaC10H18BrNO2S
Molecular Weight296.23 g/mol
Exact Mass295.02
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NC1CCCC1CBr
InChIInChI=1S/C10H18BrNO2S/c11-6-9-2-1-3-10(9)12-15(13,14)7-8-4-5-8/h8-10,12H,1-7H2
InChIKeyZVHAFWDHOANOFV-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 51.88
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-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106367493
N-[(1R,3S)-3-methylcyclopentyl]cyclopropanesulfonamide
CID 70944485
N-(2-methylcyclopentyl)propane-1-sulfonamide
CID 63373712
N-(2-methylcyclopentyl)ethanesulfonamide
CID 63373713
N-(2-methylcyclopentyl)propane-2-sulfonamide
CID 63373714
N-[2-(aminomethyl)cyclopentyl]cyclopropanesulfonamide
CID 64553230
N-[2-(aminomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide
CID 64990390
N-[(2-aminocyclopentyl)methyl]-1-cyclopropylmethanesulfonamide
CID 65836986
N-[(2-aminocyclopentyl)methyl]cyclopropanesulfonamide
CID 65837599
N-(3-methylcyclopentyl)cyclopropanesulfonamide
CID 77959926
N-(2-bromocyclopentyl)-1-cyclohexylmethanesulfonamide
CID 80662147
N-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide
CID 80662950

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide (CID 106367448) is N-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide is O=S(=O)(CC1CC1)NC1CCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is ZVHAFWDHOANOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2S/c11-6-9-2-1-3-10(9)12-15(13,14)7-8-4-5-8/h8-10,12H,1-7H2.
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide?
N-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 296.23 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 106367448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).