(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide

C12H24N2O3S — CID 104985357

IUPAC(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C12H24N2O3S/c1-14(11(15)10(13)3-8-18-2)9-12(16)4-6-17-7-5-12/h10,16H,3-9,13H2,1-2H3/t10-/m1/s1
InChIKeyAHZUDTTYLPCGQQ-SNVBAGLBSA-N
MW276.40 g/mol
LogP0.07
Rot. Bonds6

About (2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide

(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide (PubChem CID 104985357) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide
PubChem CID104985357
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C12H24N2O3S/c1-14(11(15)10(13)3-8-18-2)9-12(16)4-6-17-7-5-12/h10,16H,3-9,13H2,1-2H3/t10-/m1/s1
InChIKeyAHZUDTTYLPCGQQ-SNVBAGLBSA-N
XLogP0.07
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide (CID 104985357) is (2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)N(C)CC1(O)CCOCC1.
What is the InChIKey of (2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is AHZUDTTYLPCGQQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-14(11(15)10(13)3-8-18-2)9-12(16)4-6-17-7-5-12/h10,16H,3-9,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide?
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 276.40 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 104985357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).