N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide

C10H17N3O2S — CID 63687650

IUPACN-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(CN)cn1
InChIInChI=1S/C10H17N3O2S/c1-10(2,3)16(14,15)13-9-5-4-8(6-11)7-12-9/h4-5,7H,6,11H2,1-3H3,(H,12,13)
InChIKeyJONVGEGBECZRED-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.08
Rot. Bonds3

About N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide

N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide (PubChem CID 63687650) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide
PubChem CID63687650
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(CN)cn1
InChIInChI=1S/C10H17N3O2S/c1-10(2,3)16(14,15)13-9-5-4-8(6-11)7-12-9/h4-5,7H,6,11H2,1-3H3,(H,12,13)
InChIKeyJONVGEGBECZRED-UHFFFAOYSA-N
XLogP1.08
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide (CID 63687650) is N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1ccc(CN)cn1.
What is the InChIKey of N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide?
The InChIKey is JONVGEGBECZRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(2,3)16(14,15)13-9-5-4-8(6-11)7-12-9/h4-5,7H,6,11H2,1-3H3,(H,12,13).
What are the key properties of N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide?
N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63687650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).