(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide

C9H20N2O2S — CID 104908350

IUPAC(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)N(C)CC(C)O
InChIInChI=1S/C9H20N2O2S/c1-7(12)6-11(2)9(13)8(10)4-5-14-3/h7-8,12H,4-6,10H2,1-3H3/t7?,8-/m1/s1
InChIKeyFGNSLBVRNZUFOA-BRFYHDHCSA-N
MW220.34 g/mol
LogP-0.09
Rot. Bonds6

About (2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide

(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide (PubChem CID 104908350) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
PubChem CID104908350
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)N(C)CC(C)O
InChIInChI=1S/C9H20N2O2S/c1-7(12)6-11(2)9(13)8(10)4-5-14-3/h7-8,12H,4-6,10H2,1-3H3/t7?,8-/m1/s1
InChIKeyFGNSLBVRNZUFOA-BRFYHDHCSA-N
XLogP-0.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide
CID 103795919
(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 61165499
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
CID 104908209
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
CID 63693500
(2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104907733
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide
CID 104863936
(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908509
(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
CID 61165244
(2S)-2-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 61163636
2-[(2-amino-4-methylsulfanylbutanoyl)-(3-hydroxybutanoyl)amino]propanoic acid
CID 175113876
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide (CID 104908350) is (2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)N(C)CC(C)O.
What is the InChIKey of (2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is FGNSLBVRNZUFOA-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-7(12)6-11(2)9(13)8(10)4-5-14-3/h7-8,12H,4-6,10H2,1-3H3/t7?,8-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 220.34 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 104908350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).