N-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide

C15H26N2O3S — CID 84585425

IUPACN-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)C2C3CCCCC32)C1
InChIInChI=1S/C15H26N2O3S/c1-2-9-21(19,20)16-11-7-8-17(10-11)15(18)14-12-5-3-4-6-13(12)14/h11-14,16H,2-10H2,1H3
InChIKeyBLOOAOZHUDWTKH-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.35
Rot. Bonds5

About N-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide

N-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide (PubChem CID 84585425) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide
PubChem CID84585425
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)C2C3CCCCC32)C1
InChIInChI=1S/C15H26N2O3S/c1-2-9-21(19,20)16-11-7-8-17(10-11)15(18)14-12-5-3-4-6-13(12)14/h11-14,16H,2-10H2,1H3
InChIKeyBLOOAOZHUDWTKH-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide (CID 84585425) is N-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)C2C3CCCCC32)C1.
What is the InChIKey of N-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide?
The InChIKey is BLOOAOZHUDWTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-2-9-21(19,20)16-11-7-8-17(10-11)15(18)14-12-5-3-4-6-13(12)14/h11-14,16H,2-10H2,1H3.
What are the key properties of N-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide?
N-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bicyclo[4.1.0]heptane-7-carbonyl)pyrrolidin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 84585425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).