(2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride

C12H22Cl2N4OS — CID 163340578

IUPAC(2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride
SMILESCSC(C)(C)[C@H](N)C(=O)NCc1cccnc1N.Cl.Cl
InChIInChI=1S/C12H20N4OS.2ClH/c1-12(2,18-3)9(13)11(17)16-7-8-5-4-6-15-10(8)14;;/h4-6,9H,7,13H2,1-3H3,(H2,14,15)(H,16,17);2*1H/t9-;;/m1../s1
InChIKeyDCLOOBPVUJECNU-KLQYNRQASA-N
MW341.31 g/mol
LogP1.59
Rot. Bonds5

About (2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride

(2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride (PubChem CID 163340578) has the molecular formula C12H22Cl2N4OS and a molecular weight of 341.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride
PubChem CID163340578
Molecular FormulaC12H22Cl2N4OS
Molecular Weight341.31 g/mol
Exact Mass340.09
IUPAC Name(2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride
SMILESCSC(C)(C)[C@H](N)C(=O)NCc1cccnc1N.Cl.Cl
InChIInChI=1S/C12H20N4OS.2ClH/c1-12(2,18-3)9(13)11(17)16-7-8-5-4-6-15-10(8)14;;/h4-6,9H,7,13H2,1-3H3,(H2,14,15)(H,16,17);2*1H/t9-;;/m1../s1
InChIKeyDCLOOBPVUJECNU-KLQYNRQASA-N
XLogP1.59
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride with MolForge

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Related Compounds

(2R)-2-amino-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfanylbutanamide
CID 157012448
2-(2-amino-3-pyridinyl)acetohydrazide;hydrochloride
CID 130616634
2-(2-amino-3-pyridinyl)-N-methylacetamide;hydrochloride
CID 130695658
(2R)-2-amino-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-methylsulfanylbutanamide;hydrochloride
CID 155972458
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635
(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
CID 157018683
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-methyl-3-piperidin-1-ylpropanamide
CID 125442236
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119688348
(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide
CID 125443806
N-[(2-amino-3-pyridinyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 138056095
(2S)-2-amino-N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119892776

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride (CID 163340578) is (2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride is CSC(C)(C)[C@H](N)C(=O)NCc1cccnc1N.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride?
The InChIKey is DCLOOBPVUJECNU-KLQYNRQASA-N. The full InChI is InChI=1S/C12H20N4OS.2ClH/c1-12(2,18-3)9(13)11(17)16-7-8-5-4-6-15-10(8)14;;/h4-6,9H,7,13H2,1-3H3,(H2,14,15)(H,16,17);2*1H/t9-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride?
(2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride has a molecular weight of 341.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(2-amino-3-pyridinyl)methyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride is sourced from PubChem (CID 163340578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).