4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide

C11H16N2OS3 — CID 113489277

IUPAC4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC2CSCCS2)cc1N
InChIInChI=1S/C11H16N2OS3/c1-7-9(12)4-10(17-7)11(14)13-5-8-6-15-2-3-16-8/h4,8H,2-3,5-6,12H2,1H3,(H,13,14)
InChIKeySWIGRWGMLBXNMG-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.22
Rot. Bonds3

About 4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide

4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide (PubChem CID 113489277) has the molecular formula C11H16N2OS3 and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide
PubChem CID113489277
Molecular FormulaC11H16N2OS3
Molecular Weight288.46 g/mol
Exact Mass288.04
IUPAC Name4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC2CSCCS2)cc1N
InChIInChI=1S/C11H16N2OS3/c1-7-9(12)4-10(17-7)11(14)13-5-8-6-15-2-3-16-8/h4,8H,2-3,5-6,12H2,1H3,(H,13,14)
InChIKeySWIGRWGMLBXNMG-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-dithian-2-ylmethylcarbamoyl)-3,6-dimethylbenzoic acid
CID 103429338
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CID 104866324
3-amino-6-bromo-N-(1,4-dithian-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114908129
6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 119999138
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
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CID 115684594
4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide
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CID 63982394

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide (CID 113489277) is 4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NCC2CSCCS2)cc1N.
What is the InChIKey of 4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide?
The InChIKey is SWIGRWGMLBXNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS3/c1-7-9(12)4-10(17-7)11(14)13-5-8-6-15-2-3-16-8/h4,8H,2-3,5-6,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide?
4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide has a molecular weight of 288.46 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 113489277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).