(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide

C10H23N3OS — CID 104908942

IUPAC(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC(C)CN(C)C
InChIInChI=1S/C10H23N3OS/c1-8(7-13(2)3)12-10(14)9(11)5-6-15-4/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t8?,9-/m1/s1
InChIKeyXIRCSPMFPHNZPA-YGPZHTELSA-N
MW233.38 g/mol
LogP0.13
Rot. Bonds7

About (2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide

(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide (PubChem CID 104908942) has the molecular formula C10H23N3OS and a molecular weight of 233.38 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide
PubChem CID104908942
Molecular FormulaC10H23N3OS
Molecular Weight233.38 g/mol
Exact Mass233.16
IUPAC Name(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC(C)CN(C)C
InChIInChI=1S/C10H23N3OS/c1-8(7-13(2)3)12-10(14)9(11)5-6-15-4/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t8?,9-/m1/s1
InChIKeyXIRCSPMFPHNZPA-YGPZHTELSA-N
XLogP0.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide
CID 61253857
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119262982
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]butanamide
CID 82945905
(2S)-2-amino-4-methylsulfanyl-N-pent-4-yn-2-ylbutanamide
CID 103950389
2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybutanamide
CID 82945682
(2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119313160
[(1R)-1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]ethyl]boronic acid
CID 74765781
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103832925
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 96904293
(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide
CID 106349776
N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide
CID 22973200
(2R)-2-amino-4-methylsulfanyl-N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]butanamide
CID 89085990

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide (CID 104908942) is (2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NC(C)CN(C)C.
What is the InChIKey of (2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide?
The InChIKey is XIRCSPMFPHNZPA-YGPZHTELSA-N. The full InChI is InChI=1S/C10H23N3OS/c1-8(7-13(2)3)12-10(14)9(11)5-6-15-4/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide?
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide has a molecular weight of 233.38 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 104908942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).