(2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide

C11H25N3OS — CID 61148645

IUPAC(2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide
SMILESCCN(CC)CCNC(=O)[C@@H](N)CCSC
InChIInChI=1S/C11H25N3OS/c1-4-14(5-2)8-7-13-11(15)10(12)6-9-16-3/h10H,4-9,12H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyPYKVKJVBHBXXSD-JTQLQIEISA-N
MW247.41 g/mol
LogP0.52
Rot. Bonds9

About (2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide

(2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide (PubChem CID 61148645) has the molecular formula C11H25N3OS and a molecular weight of 247.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide
PubChem CID61148645
Molecular FormulaC11H25N3OS
Molecular Weight247.41 g/mol
Exact Mass247.17
IUPAC Name(2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide
SMILESCCN(CC)CCNC(=O)[C@@H](N)CCSC
InChIInChI=1S/C11H25N3OS/c1-4-14(5-2)8-7-13-11(15)10(12)6-9-16-3/h10H,4-9,12H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyPYKVKJVBHBXXSD-JTQLQIEISA-N
XLogP0.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345
2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 175942177
(2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide
CID 104909009
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
CID 103796215
(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide
CID 61158173
2-amino-N-[2-(diethylamino)ethyl]-4-phenylbutanamide
CID 114924642
(2R)-2-amino-N-[2-(N-methylanilino)ethyl]-4-methylsulfanylbutanamide
CID 104908153
(2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide
CID 104908379
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]butanoic acid
CID 104907974
4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid
CID 114134040

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide (CID 61148645) is (2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide is CCN(CC)CCNC(=O)[C@@H](N)CCSC.
What is the InChIKey of (2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is PYKVKJVBHBXXSD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H25N3OS/c1-4-14(5-2)8-7-13-11(15)10(12)6-9-16-3/h10H,4-9,12H2,1-3H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 247.41 g/mol, XLogP of 0.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 61148645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).