2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide

C12H17N3OS — CID 63033420

IUPAC2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide
SMILESNC(=O)C(CCSc1ccccn1)NC1CC1
InChIInChI=1S/C12H17N3OS/c13-12(16)10(15-9-4-5-9)6-8-17-11-3-1-2-7-14-11/h1-3,7,9-10,15H,4-6,8H2,(H2,13,16)
InChIKeyQFPUMZUHFMTKLM-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.17
Rot. Bonds7

About 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide

2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide (PubChem CID 63033420) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide
PubChem CID63033420
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide
SMILESNC(=O)C(CCSc1ccccn1)NC1CC1
InChIInChI=1S/C12H17N3OS/c13-12(16)10(15-9-4-5-9)6-8-17-11-3-1-2-7-14-11/h1-3,7,9-10,15H,4-6,8H2,(H2,13,16)
InChIKeyQFPUMZUHFMTKLM-UHFFFAOYSA-N
XLogP1.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate
CID 55142632
2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide
CID 63696968
4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide
CID 63035769
2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide
CID 63034668
ethyl 2-(methylamino)-4-pyridin-2-ylsulfanylbutanoate
CID 55142823
2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide
CID 63696076
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
ethyl 2-(cyclopropylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanoate
CID 63034367
2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanoic acid
CID 63696799
2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid
CID 63917868
2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanamide
CID 63917691
2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide
CID 63053675

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide?
The IUPAC name of 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide (CID 63033420) is 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide is NC(=O)C(CCSc1ccccn1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide?
The InChIKey is QFPUMZUHFMTKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-12(16)10(15-9-4-5-9)6-8-17-11-3-1-2-7-14-11/h1-3,7,9-10,15H,4-6,8H2,(H2,13,16).
What are the key properties of 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide?
2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide has a molecular weight of 251.35 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide is sourced from PubChem (CID 63033420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).