(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide

C10H15N3OS — CID 61148006

IUPAC(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1ccncc1
InChIInChI=1S/C10H15N3OS/c1-15-7-4-9(11)10(14)13-8-2-5-12-6-3-8/h2-3,5-6,9H,4,7,11H2,1H3,(H,12,13,14)/t9-/m0/s1
InChIKeyZOSLYZDDAUEROH-VIFPVBQESA-N
MW225.32 g/mol
LogP1.10
Rot. Bonds5

About (2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide

(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide (PubChem CID 61148006) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
PubChem CID61148006
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1ccncc1
InChIInChI=1S/C10H15N3OS/c1-15-7-4-9(11)10(14)13-8-2-5-12-6-3-8/h2-3,5-6,9H,4,7,11H2,1H3,(H,12,13,14)/t9-/m0/s1
InChIKeyZOSLYZDDAUEROH-VIFPVBQESA-N
XLogP1.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-[4-(propanoylamino)phenyl]butanamide
CID 61179133
(2S)-2-amino-N-(4-methyl-3-pyridinyl)-4-methylsulfanylbutanamide
CID 63327708
(2R)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methylsulfanylbutanamide
CID 104907564
ethyl N-[4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]carbamate
CID 104907269
(2R)-2-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-methylsulfanylbutanamide
CID 104907289
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N,N-dimethylbenzamide
CID 104907166
N-[4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]-3-methylbutanamide;hydrochloride
CID 119278734
(2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide
CID 104907160
(2S)-2-amino-4-methylsulfanyl-N-[4-(triazol-1-yl)phenyl]butanamide;hydrochloride
CID 119311201
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propan-2-ylbenzamide
CID 61180699
(2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide
CID 81425127
(2S)-N-(3-acetylphenyl)-2-amino-4-methylsulfanylbutanamide;hydrochloride
CID 119262966

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide?
The IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide (CID 61148006) is (2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide?
The canonical SMILES for (2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide is CSCC[C@H](N)C(=O)Nc1ccncc1.
What is the InChIKey of (2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide?
The InChIKey is ZOSLYZDDAUEROH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3OS/c1-15-7-4-9(11)10(14)13-8-2-5-12-6-3-8/h2-3,5-6,9H,4,7,11H2,1H3,(H,12,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide?
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide has a molecular weight of 225.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 61148006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).