3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride

C14H19ClN2OS2 — CID 120501338

IUPAC3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NC(c1cccs1)c1cccs1.Cl
InChIInChI=1S/C14H18N2OS2.ClH/c1-9(10(2)15)14(17)16-13(11-5-3-7-18-11)12-6-4-8-19-12;/h3-10,13H,15H2,1-2H3,(H,16,17);1H
InChIKeySECHGDKMMGJFNJ-UHFFFAOYSA-N
MW330.91 g/mol
LogP3.42
Rot. Bonds5

About 3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride

3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride (PubChem CID 120501338) has the molecular formula C14H19ClN2OS2 and a molecular weight of 330.91 g/mol. Its IUPAC name is 3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride
PubChem CID120501338
Molecular FormulaC14H19ClN2OS2
Molecular Weight330.91 g/mol
Exact Mass330.06
IUPAC Name3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NC(c1cccs1)c1cccs1.Cl
InChIInChI=1S/C14H18N2OS2.ClH/c1-9(10(2)15)14(17)16-13(11-5-3-7-18-11)12-6-4-8-19-12;/h3-10,13H,15H2,1-2H3,(H,16,17);1H
InChIKeySECHGDKMMGJFNJ-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.91
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-amino-2-methylbutanoyl)amino]-2-thiophen-2-ylacetic acid
CID 113416393
2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 43708998
(2S)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 115286900
3-amino-N-(dithiophen-2-ylmethyl)propanamide
CID 119331298
3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride
CID 120501636
N-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide
CID 57223769
3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 120502460
(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 107568606
2-amino-N-[cyclopropyl(thiophen-2-yl)methyl]propanamide;hydrochloride
CID 119276253
2-amino-N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115286053
methyl 2-methyl-3-thiophen-2-ylbutanoate
CID 177194529
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride (CID 120501338) is 3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride is CC(N)C(C)C(=O)NC(c1cccs1)c1cccs1.Cl.
What is the InChIKey of 3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride?
The InChIKey is SECHGDKMMGJFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2.ClH/c1-9(10(2)15)14(17)16-13(11-5-3-7-18-11)12-6-4-8-19-12;/h3-10,13H,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride?
3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride has a molecular weight of 330.91 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(dithiophen-2-ylmethyl)-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120501338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).