(2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide

C9H20N2OS — CID 18654747

IUPAC(2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide
SMILESCCN(CC)C(=O)[C@@H](N)CCSC
InChIInChI=1S/C9H20N2OS/c1-4-11(5-2)9(12)8(10)6-7-13-3/h8H,4-7,10H2,1-3H3/t8-/m0/s1
InChIKeyTYPOYMKOUQAFKU-QMMMGPOBSA-N
MW204.34 g/mol
LogP0.94
Rot. Bonds6

About (2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide

(2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide (PubChem CID 18654747) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is (2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide
PubChem CID18654747
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name(2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide
SMILESCCN(CC)C(=O)[C@@H](N)CCSC
InChIInChI=1S/C9H20N2OS/c1-4-11(5-2)9(12)8(10)6-7-13-3/h8H,4-7,10H2,1-3H3/t8-/m0/s1
InChIKeyTYPOYMKOUQAFKU-QMMMGPOBSA-N
XLogP0.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide (CID 18654747) is (2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide is CCN(CC)C(=O)[C@@H](N)CCSC.
What is the InChIKey of (2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide?
The InChIKey is TYPOYMKOUQAFKU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-4-11(5-2)9(12)8(10)6-7-13-3/h8H,4-7,10H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide?
(2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide has a molecular weight of 204.34 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,N-diethyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 18654747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).