3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide

C10H15N3OS — CID 60962124

IUPAC3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSc1ccc(N)cn1
InChIInChI=1S/C10H15N3OS/c1-13(2)10(14)5-6-15-9-4-3-8(11)7-12-9/h3-4,7H,5-6,11H2,1-2H3
InChIKeyPAGNWSWFDSMRSQ-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.23
Rot. Bonds4

About 3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide

3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide (PubChem CID 60962124) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide
PubChem CID60962124
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSc1ccc(N)cn1
InChIInChI=1S/C10H15N3OS/c1-13(2)10(14)5-6-15-9-4-3-8(11)7-12-9/h3-4,7H,5-6,11H2,1-2H3
InChIKeyPAGNWSWFDSMRSQ-UHFFFAOYSA-N
XLogP1.23
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide (CID 60962124) is 3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide is CN(C)C(=O)CCSc1ccc(N)cn1.
What is the InChIKey of 3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide?
The InChIKey is PAGNWSWFDSMRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-13(2)10(14)5-6-15-9-4-3-8(11)7-12-9/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of 3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide?
3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide has a molecular weight of 225.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 60962124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).