(2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide

C12H20N2OS — CID 104903741

IUPAC(2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide
SMILESCc1cscc1CNC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H20N2OS/c1-8(2)4-11(13)12(15)14-5-10-7-16-6-9(10)3/h6-8,11H,4-5,13H2,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyKIEGSULIOJIJTM-LLVKDONJSA-N
MW240.37 g/mol
LogP2.05
Rot. Bonds5

About (2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide

(2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide (PubChem CID 104903741) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide
PubChem CID104903741
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name(2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide
SMILESCc1cscc1CNC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H20N2OS/c1-8(2)4-11(13)12(15)14-5-10-7-16-6-9(10)3/h6-8,11H,4-5,13H2,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyKIEGSULIOJIJTM-LLVKDONJSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
(2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide
CID 104898150
2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
CID 63246547
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide
CID 119781006
(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119781005
2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368287
(2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide
CID 119811710
(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307
(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide
CID 130299690
(2S)-2-amino-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylpentanamide
CID 110482526
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide (CID 104903741) is (2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide is Cc1cscc1CNC(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide?
The InChIKey is KIEGSULIOJIJTM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(2)4-11(13)12(15)14-5-10-7-16-6-9(10)3/h6-8,11H,4-5,13H2,1-3H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide?
(2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide has a molecular weight of 240.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide is sourced from PubChem (CID 104903741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).