N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide

C9H18N2O3S — CID 114386511

IUPACN-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1CC1)N1CCC(CCO)C1
InChIInChI=1S/C9H18N2O3S/c12-6-4-8-3-5-11(7-8)15(13,14)10-9-1-2-9/h8-10,12H,1-7H2
InChIKeyUSTBNIFGTCGEHH-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.31
Rot. Bonds5

About N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide

N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide (PubChem CID 114386511) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
PubChem CID114386511
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1CC1)N1CCC(CCO)C1
InChIInChI=1S/C9H18N2O3S/c12-6-4-8-3-5-11(7-8)15(13,14)10-9-1-2-9/h8-10,12H,1-7H2
InChIKeyUSTBNIFGTCGEHH-UHFFFAOYSA-N
XLogP-0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide (CID 114386511) is N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide is O=S(=O)(NC1CC1)N1CCC(CCO)C1.
What is the InChIKey of N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide?
The InChIKey is USTBNIFGTCGEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c12-6-4-8-3-5-11(7-8)15(13,14)10-9-1-2-9/h8-10,12H,1-7H2.
What are the key properties of N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide?
N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide has a molecular weight of 234.32 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 114386511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).