(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide

C10H16N2OS — CID 79022853

IUPAC(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1ccc(C)s1
InChIInChI=1S/C10H16N2OS/c1-3-9(11)10(13)12-6-8-5-4-7(2)14-8/h4-5,9H,3,6,11H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyJJJZIGQJUNELKV-VIFPVBQESA-N
MW212.32 g/mol
LogP1.41
Rot. Bonds4

About (2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide

(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide (PubChem CID 79022853) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
PubChem CID79022853
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1ccc(C)s1
InChIInChI=1S/C10H16N2OS/c1-3-9(11)10(13)12-6-8-5-4-7(2)14-8/h4-5,9H,3,6,11H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyJJJZIGQJUNELKV-VIFPVBQESA-N
XLogP1.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119291761
2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 62475607
(2R)-2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 62058382
(2S)-2-amino-3,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119709408
2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 55209942
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293
(2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 94824862
6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 65291508
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 106011877
(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814809
2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide
CID 62056893
2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786149

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide (CID 79022853) is (2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide is CC[C@H](N)C(=O)NCc1ccc(C)s1.
What is the InChIKey of (2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide?
The InChIKey is JJJZIGQJUNELKV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-9(11)10(13)12-6-8-5-4-7(2)14-8/h4-5,9H,3,6,11H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide?
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide has a molecular weight of 212.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 79022853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).