(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide

C10H22N2OS2 — CID 103796215

IUPAC(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
SMILESCSCC[C@H](N)C(=O)NCCC(C)SC
InChIInChI=1S/C10H22N2OS2/c1-8(15-3)4-6-12-10(13)9(11)5-7-14-2/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyNSABTYUFIPMBHT-GKAPJAKFSA-N
MW250.43 g/mol
LogP1.32
Rot. Bonds8

About (2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide

(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide (PubChem CID 103796215) has the molecular formula C10H22N2OS2 and a molecular weight of 250.43 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
PubChem CID103796215
Molecular FormulaC10H22N2OS2
Molecular Weight250.43 g/mol
Exact Mass250.12
IUPAC Name(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
SMILESCSCC[C@H](N)C(=O)NCCC(C)SC
InChIInChI=1S/C10H22N2OS2/c1-8(15-3)4-6-12-10(13)9(11)5-7-14-2/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyNSABTYUFIPMBHT-GKAPJAKFSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide
CID 107570665
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide
CID 61158173
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 96904293
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345
(2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide
CID 104908132
(2R)-2-amino-4-methylsulfanyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104909037
4-[2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]ethyl]-5-methylhexanoic acid
CID 104908546
(2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide
CID 104908379
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]butanoic acid
CID 104907974
(2S)-2-amino-N-(cyanomethyl)-4-methylsulfanylbutanamide
CID 61252327

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide?
The IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide (CID 103796215) is (2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide?
The canonical SMILES for (2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide is CSCC[C@H](N)C(=O)NCCC(C)SC.
What is the InChIKey of (2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide?
The InChIKey is NSABTYUFIPMBHT-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H22N2OS2/c1-8(15-3)4-6-12-10(13)9(11)5-7-14-2/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide?
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide has a molecular weight of 250.43 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide is sourced from PubChem (CID 103796215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).