N-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide

C10H18N2O3S — CID 55218597

IUPACN-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C10H18N2O3S/c1-15-7-4-8-16(13,14)12-10(9-11)5-2-3-6-10/h12H,2-8H2,1H3
InChIKeyYXIKQLSYBQWJHC-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.78
Rot. Bonds6

About N-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide

N-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide (PubChem CID 55218597) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide
PubChem CID55218597
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C10H18N2O3S/c1-15-7-4-8-16(13,14)12-10(9-11)5-2-3-6-10/h12H,2-8H2,1H3
InChIKeyYXIKQLSYBQWJHC-UHFFFAOYSA-N
XLogP0.78
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide (CID 55218597) is N-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NC1(C#N)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is YXIKQLSYBQWJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-15-7-4-8-16(13,14)12-10(9-11)5-2-3-6-10/h12H,2-8H2,1H3.
What are the key properties of N-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide?
N-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 246.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 55218597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).