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

C10H20BrNO2S — CID 106135013

IUPACN-[(3-bromocyclopentyl)methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C10H20BrNO2S/c1-10(2,3)15(13,14)12-7-8-4-5-9(11)6-8/h8-9,12H,4-7H2,1-3H3
InChIKeyZBMXMSFJWKEATQ-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.27
Rot. Bonds3

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

N-[(3-bromocyclopentyl)methyl]-2-methylpropane-2-sulfonamide (PubChem CID 106135013) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-2-methylpropane-2-sulfonamide
PubChem CID106135013
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-[(3-bromocyclopentyl)methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C10H20BrNO2S/c1-10(2,3)15(13,14)12-7-8-4-5-9(11)6-8/h8-9,12H,4-7H2,1-3H3
InChIKeyZBMXMSFJWKEATQ-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.27
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-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114148184
N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521777
N-[(2-bromocyclopentyl)methyl]cyclopentanesulfonamide
CID 105361764
N-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide
CID 105361789
N-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide
CID 105361795
N-(2-bromo-3-methylbutyl)cyclopentanesulfonamide
CID 105361829
N-[2-(2-bromoethyl)pentyl]butane-1-sulfonamide
CID 106118346
N-[2-(2-bromoethyl)pentyl]-2-methylpropane-2-sulfonamide
CID 106118352
N-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide
CID 106118353
N-[2-(2-bromoethyl)pentyl]propane-1-sulfonamide
CID 106118368
N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide
CID 106118374
N-[2-(2-bromoethyl)pentyl]propane-2-sulfonamide
CID 106118385

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-2-methylpropane-2-sulfonamide (CID 106135013) is N-[(3-bromocyclopentyl)methyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-2-methylpropane-2-sulfonamide?
The InChIKey is ZBMXMSFJWKEATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-10(2,3)15(13,14)12-7-8-4-5-9(11)6-8/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-[(3-bromocyclopentyl)methyl]-2-methylpropane-2-sulfonamide?
N-[(3-bromocyclopentyl)methyl]-2-methylpropane-2-sulfonamide has a molecular weight of 298.25 g/mol, XLogP of 2.27, 3 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-2-sulfonamide is sourced from PubChem (CID 106135013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).