N-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide

C10H20BrNO2S — CID 106135016

IUPACN-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C10H20BrNO2S/c1-8(2)7-15(13,14)12-6-9-3-4-10(11)5-9/h8-10,12H,3-7H2,1-2H3
InChIKeyWXOXPKQGMMALSL-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.13
Rot. Bonds5

About N-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide

N-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide (PubChem CID 106135016) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide
PubChem CID106135016
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C10H20BrNO2S/c1-8(2)7-15(13,14)12-6-9-3-4-10(11)5-9/h8-10,12H,3-7H2,1-2H3
InChIKeyWXOXPKQGMMALSL-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.13
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-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060154
N-[2-(2-bromoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114145887
N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114148184
N-(cyclopentylmethyl)propane-2-sulfonamide
CID 61357018
N-(cyclopentylmethyl)ethanesulfonamide
CID 61357019
N-(cyclopentylmethyl)propane-1-sulfonamide
CID 61383865
N-(2-bromocyclopentyl)-1-cyclohexylmethanesulfonamide
CID 80662147
N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide
CID 80663045
N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide
CID 80663053
N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521777
N-[(2-bromocyclopentyl)methyl]cyclopentanesulfonamide
CID 105361764
N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide
CID 105361771

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide (CID 106135016) is N-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide?
The InChIKey is WXOXPKQGMMALSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-8(2)7-15(13,14)12-6-9-3-4-10(11)5-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide?
N-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide has a molecular weight of 298.25 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 106135016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).