1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide

C10H17N3O2S — CID 114932074

IUPAC1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)C(C)CN)c1
InChIInChI=1S/C10H17N3O2S/c1-7-4-8(2)12-10(5-7)13-16(14,15)9(3)6-11/h4-5,9H,6,11H2,1-3H3,(H,12,13)
InChIKeyXXQAMFWSXWROJT-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.79
Rot. Bonds4

About 1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide

1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide (PubChem CID 114932074) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide
PubChem CID114932074
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)C(C)CN)c1
InChIInChI=1S/C10H17N3O2S/c1-7-4-8(2)12-10(5-7)13-16(14,15)9(3)6-11/h4-5,9H,6,11H2,1-3H3,(H,12,13)
InChIKeyXXQAMFWSXWROJT-UHFFFAOYSA-N
XLogP0.79
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide?
The IUPAC name of 1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide (CID 114932074) is 1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide is Cc1cc(C)nc(NS(=O)(=O)C(C)CN)c1.
What is the InChIKey of 1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide?
The InChIKey is XXQAMFWSXWROJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7-4-8(2)12-10(5-7)13-16(14,15)9(3)6-11/h4-5,9H,6,11H2,1-3H3,(H,12,13).
What are the key properties of 1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide?
1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide is sourced from PubChem (CID 114932074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).