N-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide

C13H18N2O2S — CID 131923985

IUPACN-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1(c2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C13H18N2O2S/c16-18(17,15-10-4-5-11-15)14-13(8-9-13)12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2
InChIKeyPGCUFWJMLYVJNM-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.61
Rot. Bonds4

About N-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide

N-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide (PubChem CID 131923985) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide
PubChem CID131923985
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1(c2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C13H18N2O2S/c16-18(17,15-10-4-5-11-15)14-13(8-9-13)12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2
InChIKeyPGCUFWJMLYVJNM-UHFFFAOYSA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide (CID 131923985) is N-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide is O=S(=O)(NC1(c2ccccc2)CC1)N1CCCC1.
What is the InChIKey of N-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide?
The InChIKey is PGCUFWJMLYVJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-18(17,15-10-4-5-11-15)14-13(8-9-13)12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2.
What are the key properties of N-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide?
N-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide has a molecular weight of 266.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclopropyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 131923985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).