(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide

C12H20N2OS — CID 106011877

IUPAC(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCc1ccc(CC)s1
InChIInChI=1S/C12H20N2OS/c1-3-5-11(13)12(15)14-8-10-7-6-9(4-2)16-10/h6-7,11H,3-5,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyWWAQCTOFCVDKKP-NSHDSACASA-N
MW240.37 g/mol
LogP2.05
Rot. Bonds6

About (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide

(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide (PubChem CID 106011877) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
PubChem CID106011877
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCc1ccc(CC)s1
InChIInChI=1S/C12H20N2OS/c1-3-5-11(13)12(15)14-8-10-7-6-9(4-2)16-10/h6-7,11H,3-5,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyWWAQCTOFCVDKKP-NSHDSACASA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.05
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-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide
CID 119342011
(2S,3S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentanamide
CID 103832951
2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 114137027
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
(2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide
CID 94106356
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
(2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide
CID 103797879
2-amino-N-benzylpentanamide
CID 11020044
(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
CID 103794391
(2R)-2-amino-N-(pyridazin-3-ylmethyl)pentanamide
CID 107570944
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119727868

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide (CID 106011877) is (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide is CCC[C@H](N)C(=O)NCc1ccc(CC)s1.
What is the InChIKey of (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide?
The InChIKey is WWAQCTOFCVDKKP-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-5-11(13)12(15)14-8-10-7-6-9(4-2)16-10/h6-7,11H,3-5,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide?
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide has a molecular weight of 240.37 g/mol, XLogP of 2.05, 6 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-ethylthiophen-2-yl)methyl]pentanamide is sourced from PubChem (CID 106011877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).