N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide

C10H18N2O2S — CID 78942640

IUPACN-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide
SMILESC#CCN(CCC)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H18N2O2S/c1-3-7-11(8-4-2)15(13,14)12-9-5-6-10-12/h1H,4-10H2,2H3
InChIKeyKOGYEVMAOAAIFR-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.67
Rot. Bonds5

About N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide

N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide (PubChem CID 78942640) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide
PubChem CID78942640
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide
SMILESC#CCN(CCC)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H18N2O2S/c1-3-7-11(8-4-2)15(13,14)12-9-5-6-10-12/h1H,4-10H2,2H3
InChIKeyKOGYEVMAOAAIFR-UHFFFAOYSA-N
XLogP0.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide?
The IUPAC name of N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide (CID 78942640) is N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide is C#CCN(CCC)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide?
The InChIKey is KOGYEVMAOAAIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-7-11(8-4-2)15(13,14)12-9-5-6-10-12/h1H,4-10H2,2H3.
What are the key properties of N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide?
N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide has a molecular weight of 230.33 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 78942640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).