N-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide

C9H19NO3S — CID 107203055

IUPACN-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide
SMILESCN(CCCCCO)S(=O)(=O)C1CC1
InChIInChI=1S/C9H19NO3S/c1-10(7-3-2-4-8-11)14(12,13)9-5-6-9/h9,11H,2-8H2,1H3
InChIKeyKVRBGICPFZITAN-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.57
Rot. Bonds7

About N-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide

N-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide (PubChem CID 107203055) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide
PubChem CID107203055
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide
SMILESCN(CCCCCO)S(=O)(=O)C1CC1
InChIInChI=1S/C9H19NO3S/c1-10(7-3-2-4-8-11)14(12,13)9-5-6-9/h9,11H,2-8H2,1H3
InChIKeyKVRBGICPFZITAN-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide (CID 107203055) is N-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide is CN(CCCCCO)S(=O)(=O)C1CC1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide?
The InChIKey is KVRBGICPFZITAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-10(7-3-2-4-8-11)14(12,13)9-5-6-9/h9,11H,2-8H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide?
N-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 107203055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).