N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide

C12H19N3O2S — CID 115274852

IUPACN-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(NC2CC2)nc1
InChIInChI=1S/C12H19N3O2S/c1-12(2,3)18(16,17)15-10-6-7-11(13-8-10)14-9-4-5-9/h6-9,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyCMJIAECACISCFS-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.20
Rot. Bonds4

About N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide

N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide (PubChem CID 115274852) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide
PubChem CID115274852
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(NC2CC2)nc1
InChIInChI=1S/C12H19N3O2S/c1-12(2,3)18(16,17)15-10-6-7-11(13-8-10)14-9-4-5-9/h6-9,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyCMJIAECACISCFS-UHFFFAOYSA-N
XLogP2.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide (CID 115274852) is N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1ccc(NC2CC2)nc1.
What is the InChIKey of N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide?
The InChIKey is CMJIAECACISCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(2,3)18(16,17)15-10-6-7-11(13-8-10)14-9-4-5-9/h6-9,15H,4-5H2,1-3H3,(H,13,14).
What are the key properties of N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide?
N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 115274852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).