(2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide

C12H20N2OS — CID 103797879

IUPAC(2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCc1sccc1CC
InChIInChI=1S/C12H20N2OS/c1-3-5-10(13)12(15)14-8-11-9(4-2)6-7-16-11/h6-7,10H,3-5,8,13H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyHZNRIINXRMXMKK-SNVBAGLBSA-N
MW240.37 g/mol
LogP2.05
Rot. Bonds6

About (2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide

(2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide (PubChem CID 103797879) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide
PubChem CID103797879
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name(2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCc1sccc1CC
InChIInChI=1S/C12H20N2OS/c1-3-5-10(13)12(15)14-8-11-9(4-2)6-7-16-11/h6-7,10H,3-5,8,13H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyHZNRIINXRMXMKK-SNVBAGLBSA-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

2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283682
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 106011877
1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea
CID 115686537
(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 103813347
2-amino-N-benzylpentanamide
CID 11020044
propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate
CID 116656798
4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide
CID 81079297
N-[(3-ethylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylpropanamide
CID 107032562
2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 114328918
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 63239940

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide (CID 103797879) is (2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide is CCC[C@@H](N)C(=O)NCc1sccc1CC.
What is the InChIKey of (2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide?
The InChIKey is HZNRIINXRMXMKK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-5-10(13)12(15)14-8-11-9(4-2)6-7-16-11/h6-7,10H,3-5,8,13H2,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide?
(2R)-2-amino-N-[(3-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 (2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide is sourced from PubChem (CID 103797879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).