N-(1-benzylcyclopropyl)pyrrolidine-1-sulfonamide

C14H20N2O2S — CID 122562760

IUPACN-(1-benzylcyclopropyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1(Cc2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C14H20N2O2S/c17-19(18,16-10-4-5-11-16)15-14(8-9-14)12-13-6-2-1-3-7-13/h1-3,6-7,15H,4-5,8-12H2
InChIKeyMDMCTUUQCFFINC-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.69
Rot. Bonds5

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

N-(1-benzylcyclopropyl)pyrrolidine-1-sulfonamide (PubChem CID 122562760) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(1-benzylcyclopropyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylcyclopropyl)pyrrolidine-1-sulfonamide
PubChem CID122562760
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(1-benzylcyclopropyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1(Cc2ccccc2)CC1)N1CCCC1
InChIInChI=1S/C14H20N2O2S/c17-19(18,16-10-4-5-11-16)15-14(8-9-14)12-13-6-2-1-3-7-13/h1-3,6-7,15H,4-5,8-12H2
InChIKeyMDMCTUUQCFFINC-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylcyclopropyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(1-benzylcyclopropyl)pyrrolidine-1-sulfonamide (CID 122562760) is N-(1-benzylcyclopropyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(1-benzylcyclopropyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(1-benzylcyclopropyl)pyrrolidine-1-sulfonamide is O=S(=O)(NC1(Cc2ccccc2)CC1)N1CCCC1.
What is the InChIKey of N-(1-benzylcyclopropyl)pyrrolidine-1-sulfonamide?
The InChIKey is MDMCTUUQCFFINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-19(18,16-10-4-5-11-16)15-14(8-9-14)12-13-6-2-1-3-7-13/h1-3,6-7,15H,4-5,8-12H2.
What are the key properties of N-(1-benzylcyclopropyl)pyrrolidine-1-sulfonamide?
N-(1-benzylcyclopropyl)pyrrolidine-1-sulfonamide has a molecular weight of 280.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylcyclopropyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 122562760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).