N-(1-cyanocyclopropyl)propane-2-sulfonamide

C7H12N2O2S — CID 130929294

IUPACN-(1-cyanocyclopropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1(C#N)CC1
InChIInChI=1S/C7H12N2O2S/c1-6(2)12(10,11)9-7(5-8)3-4-7/h6,9H,3-4H2,1-2H3
InChIKeyVBGLRKASYCYFHF-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.37
Rot. Bonds3

About N-(1-cyanocyclopropyl)propane-2-sulfonamide

N-(1-cyanocyclopropyl)propane-2-sulfonamide (PubChem CID 130929294) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)propane-2-sulfonamide
PubChem CID130929294
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC NameN-(1-cyanocyclopropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1(C#N)CC1
InChIInChI=1S/C7H12N2O2S/c1-6(2)12(10,11)9-7(5-8)3-4-7/h6,9H,3-4H2,1-2H3
InChIKeyVBGLRKASYCYFHF-UHFFFAOYSA-N
XLogP0.37
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)propane-2-sulfonamide?
The IUPAC name of N-(1-cyanocyclopropyl)propane-2-sulfonamide (CID 130929294) is N-(1-cyanocyclopropyl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)propane-2-sulfonamide?
The canonical SMILES for N-(1-cyanocyclopropyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1(C#N)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)propane-2-sulfonamide?
The InChIKey is VBGLRKASYCYFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-6(2)12(10,11)9-7(5-8)3-4-7/h6,9H,3-4H2,1-2H3.
What are the key properties of N-(1-cyanocyclopropyl)propane-2-sulfonamide?
N-(1-cyanocyclopropyl)propane-2-sulfonamide has a molecular weight of 188.25 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)propane-2-sulfonamide is sourced from PubChem (CID 130929294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).