(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide

C10H22N2OS — CID 107570665

IUPAC(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCCC(C)SC
InChIInChI=1S/C10H22N2OS/c1-4-5-9(11)10(13)12-7-6-8(2)14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyNTZDZNIZDUIOFQ-GKAPJAKFSA-N
MW218.37 g/mol
LogP1.37
Rot. Bonds7

About (2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide

(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide (PubChem CID 107570665) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide
PubChem CID107570665
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCCC(C)SC
InChIInChI=1S/C10H22N2OS/c1-4-5-9(11)10(13)12-7-6-8(2)14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyNTZDZNIZDUIOFQ-GKAPJAKFSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
CID 103796215
2-amino-N-propylpentanamide
CID 43649977
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
(2R)-2-amino-N-butylpentanamide
CID 82668431
2-amino-N-(5-methylhexyl)pentanamide
CID 81433782
(2S)-2-amino-N-(2-ethoxyethyl)pentanamide
CID 107568294
2-amino-3-(4-hydroxyphenyl)-N-(3-methylsulfanylbutyl)propanamide
CID 114350771
2-amino-N-(3-methylsulfanylbutyl)acetamide
CID 115734039
(2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 103813236
(2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide
CID 104861437
2-amino-N-(3,3-dimethylbutyl)pentanamide
CID 112687728
5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid
CID 103870686

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide (CID 107570665) is (2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide is CCC[C@H](N)C(=O)NCCC(C)SC.
What is the InChIKey of (2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide?
The InChIKey is NTZDZNIZDUIOFQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-4-5-9(11)10(13)12-7-6-8(2)14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide?
(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide has a molecular weight of 218.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide is sourced from PubChem (CID 107570665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).