N-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide

C10H18BrNO3S — CID 80663044

IUPACN-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC1CCCC1Br
InChIInChI=1S/C10H18BrNO3S/c11-9-4-1-5-10(9)12-16(13,14)7-8-3-2-6-15-8/h8-10,12H,1-7H2
InChIKeyXRWPTWXQSAPBCQ-UHFFFAOYSA-N
MW312.23 g/mol
LogP1.40
Rot. Bonds4

About N-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide

N-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 80663044) has the molecular formula C10H18BrNO3S and a molecular weight of 312.23 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID80663044
Molecular FormulaC10H18BrNO3S
Molecular Weight312.23 g/mol
Exact Mass311.02
IUPAC NameN-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC1CCCC1Br
InChIInChI=1S/C10H18BrNO3S/c11-9-4-1-5-10(9)12-16(13,14)7-8-3-2-6-15-8/h8-10,12H,1-7H2
InChIKeyXRWPTWXQSAPBCQ-UHFFFAOYSA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide (CID 80663044) is N-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide is O=S(=O)(CC1CCCO1)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is XRWPTWXQSAPBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO3S/c11-9-4-1-5-10(9)12-16(13,14)7-8-3-2-6-15-8/h8-10,12H,1-7H2.
What are the key properties of N-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 312.23 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 80663044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).