2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride

C13H19ClN2OS2 — CID 119788268

IUPAC2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CNc1ccccc1)NCC1CSCCS1
InChIInChI=1S/C13H18N2OS2.ClH/c16-13(9-14-11-4-2-1-3-5-11)15-8-12-10-17-6-7-18-12;/h1-5,12,14H,6-10H2,(H,15,16);1H
InChIKeySLJQCYBITKVNGG-UHFFFAOYSA-N
MW318.89 g/mol
LogP2.49
Rot. Bonds5

About 2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride

2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119788268) has the molecular formula C13H19ClN2OS2 and a molecular weight of 318.89 g/mol. Its IUPAC name is 2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride
PubChem CID119788268
Molecular FormulaC13H19ClN2OS2
Molecular Weight318.89 g/mol
Exact Mass318.06
IUPAC Name2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CNc1ccccc1)NCC1CSCCS1
InChIInChI=1S/C13H18N2OS2.ClH/c16-13(9-14-11-4-2-1-3-5-11)15-8-12-10-17-6-7-18-12;/h1-5,12,14H,6-10H2,(H,15,16);1H
InChIKeySLJQCYBITKVNGG-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119326352
2-anilino-N-(cyclopentylmethyl)acetamide;hydrochloride
CID 119718704
2-bromo-N-(1,4-dithian-2-ylmethyl)benzamide
CID 115684611
N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide
CID 115687797
6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 119999138
2-anilino-N-(thian-4-yl)acetamide;hydrochloride
CID 119765688
2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide
CID 115684629
4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide
CID 115739503
2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride
CID 120633463
2-(1,4-dithian-2-ylmethylcarbamoyl)-3,6-dimethylbenzoic acid
CID 103429338
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 95975277

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride (CID 119788268) is 2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride is Cl.O=C(CNc1ccccc1)NCC1CSCCS1.
What is the InChIKey of 2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is SLJQCYBITKVNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2.ClH/c16-13(9-14-11-4-2-1-3-5-11)15-8-12-10-17-6-7-18-12;/h1-5,12,14H,6-10H2,(H,15,16);1H.
What are the key properties of 2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride?
2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119788268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).