N-[(3-bromocyclopentyl)methyl]methanesulfonamide

C7H14BrNO2S — CID 106135079

IUPACN-[(3-bromocyclopentyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C7H14BrNO2S/c1-12(10,11)9-5-6-2-3-7(8)4-6/h6-7,9H,2-5H2,1H3
InChIKeyDMALDQKIVSWIDC-UHFFFAOYSA-N
MW256.16 g/mol
LogP1.10
Rot. Bonds3

About N-[(3-bromocyclopentyl)methyl]methanesulfonamide

N-[(3-bromocyclopentyl)methyl]methanesulfonamide (PubChem CID 106135079) has the molecular formula C7H14BrNO2S and a molecular weight of 256.16 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]methanesulfonamide
PubChem CID106135079
Molecular FormulaC7H14BrNO2S
Molecular Weight256.16 g/mol
Exact Mass254.99
IUPAC NameN-[(3-bromocyclopentyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C7H14BrNO2S/c1-12(10,11)9-5-6-2-3-7(8)4-6/h6-7,9H,2-5H2,1H3
InChIKeyDMALDQKIVSWIDC-UHFFFAOYSA-N
XLogP1.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 51.10
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]-1,1-difluoromethanesulfonamide
CID 106135086
N-[(2-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 114293659
1-bromo-N-(2-methylcyclopentyl)methanesulfonamide
CID 83085566
1-bromo-N-(cyclopentylmethyl)methanesulfonamide
CID 83092909
N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide
CID 106118374
N-[2-(2-bromoethyl)pentyl]methanesulfonamide
CID 106118416
N-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide
CID 106134990
N-[(3-bromocyclopentyl)methyl]-2-methylpropane-2-sulfonamide
CID 106135013
N-[(3-bromocyclopentyl)methyl]-2-methylpropane-1-sulfonamide
CID 106135016
N-[(3-bromocyclopentyl)methyl]ethanesulfonamide
CID 106135058
N-[(3-bromocyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 106135072
N-[(3-bromocyclopentyl)methyl]propane-1-sulfonamide
CID 106135083

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]methanesulfonamide (CID 106135079) is N-[(3-bromocyclopentyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]methanesulfonamide is CS(=O)(=O)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]methanesulfonamide?
The InChIKey is DMALDQKIVSWIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2S/c1-12(10,11)9-5-6-2-3-7(8)4-6/h6-7,9H,2-5H2,1H3.
What are the key properties of N-[(3-bromocyclopentyl)methyl]methanesulfonamide?
N-[(3-bromocyclopentyl)methyl]methanesulfonamide has a molecular weight of 256.16 g/mol, XLogP of 1.10, 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]methanesulfonamide is sourced from PubChem (CID 106135079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).