N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide

C9H18N2O3S — CID 115754648

IUPACN-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide
SMILESC=CCN(CCO)S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H18N2O3S/c1-2-5-10(8-9-12)15(13,14)11-6-3-4-7-11/h2,12H,1,3-9H2
InChIKeyBUMWLNYNGLGRBY-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.19
Rot. Bonds6

About N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide

N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide (PubChem CID 115754648) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide
PubChem CID115754648
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide
SMILESC=CCN(CCO)S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H18N2O3S/c1-2-5-10(8-9-12)15(13,14)11-6-3-4-7-11/h2,12H,1,3-9H2
InChIKeyBUMWLNYNGLGRBY-UHFFFAOYSA-N
XLogP-0.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide
CID 115754309
4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide
CID 136512519
4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340553
2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340573
1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide
CID 115754602
1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857764
4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340728
N-(2-hydroxyethyl)-1-(oxolan-2-yl)-N-prop-2-enylmethanesulfonamide
CID 115754603
N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
CID 113136448
N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 115754586
N-butyl-N-ethylpiperidine-1-sulfonamide
CID 86920062
N-(2-hydroxyethyl)-N-phenylpiperidine-1-sulfonamide
CID 111462838

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide (CID 115754648) is N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide is C=CCN(CCO)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide?
The InChIKey is BUMWLNYNGLGRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-5-10(8-9-12)15(13,14)11-6-3-4-7-11/h2,12H,1,3-9H2.
What are the key properties of N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide?
N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide has a molecular weight of 234.32 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 115754648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).