N-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide

C10H20BrNO3S — CID 114297063

IUPACN-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1(CBr)CCCC1
InChIInChI=1S/C10H20BrNO3S/c1-15-7-4-8-16(13,14)12-10(9-11)5-2-3-6-10/h12H,2-9H2,1H3
InChIKeyXMDPHZINVNMOCQ-UHFFFAOYSA-N
MW314.25 g/mol
LogP1.65
Rot. Bonds7

About N-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide

N-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide (PubChem CID 114297063) has the molecular formula C10H20BrNO3S and a molecular weight of 314.25 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide
PubChem CID114297063
Molecular FormulaC10H20BrNO3S
Molecular Weight314.25 g/mol
Exact Mass313.03
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1(CBr)CCCC1
InChIInChI=1S/C10H20BrNO3S/c1-15-7-4-8-16(13,14)12-10(9-11)5-2-3-6-10/h12H,2-9H2,1H3
InChIKeyXMDPHZINVNMOCQ-UHFFFAOYSA-N
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(bromomethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521796
N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide
CID 105361786
N-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide
CID 106118361
N-[2-(2-bromoethyl)pentyl]-2-methoxyethanesulfonamide
CID 106118372
N-[(3-bromocyclopentyl)methyl]-3-methoxypropane-1-sulfonamide
CID 106135054
N-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide
CID 106135101
N-(1-bromo-3-methylpentan-3-yl)-2-ethoxyethanesulfonamide
CID 106169865
N-(1-bromo-3-methylpentan-3-yl)-3-methoxypropane-1-sulfonamide
CID 106169957
N-(1-bromo-3-methylpentan-3-yl)-2-methoxyethanesulfonamide
CID 106169995
N-[2-(bromomethyl)cyclopentyl]-2-methoxyethanesulfonamide
CID 106367463
N-[2-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide
CID 106367465
N-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide
CID 106367518

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide (CID 114297063) is N-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NC1(CBr)CCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide?
The InChIKey is XMDPHZINVNMOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO3S/c1-15-7-4-8-16(13,14)12-10(9-11)5-2-3-6-10/h12H,2-9H2,1H3.
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide?
N-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide has a molecular weight of 314.25 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 114297063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).