N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide

C11H19N3O2S — CID 63856219

IUPACN-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)c1ccncc1N
InChIInChI=1S/C11H19N3O2S/c1-9(2)5-7-17(15,16)14(3)11-4-6-13-8-10(11)12/h4,6,8-9H,5,7,12H2,1-3H3
InChIKeyJVNRKZZMTPGWOO-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.48
Rot. Bonds5

About N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide

N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide (PubChem CID 63856219) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide
PubChem CID63856219
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)c1ccncc1N
InChIInChI=1S/C11H19N3O2S/c1-9(2)5-7-17(15,16)14(3)11-4-6-13-8-10(11)12/h4,6,8-9H,5,7,12H2,1-3H3
InChIKeyJVNRKZZMTPGWOO-UHFFFAOYSA-N
XLogP1.48
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide (CID 63856219) is N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)N(C)c1ccncc1N.
What is the InChIKey of N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide?
The InChIKey is JVNRKZZMTPGWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(2)5-7-17(15,16)14(3)11-4-6-13-8-10(11)12/h4,6,8-9H,5,7,12H2,1-3H3.
What are the key properties of N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide?
N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 63856219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).