N-benzyl-N-methyl-1,4-dithiane-2-carboxamide

C13H17NOS2 — CID 112760137

IUPACN-benzyl-N-methyl-1,4-dithiane-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CSCCS1
InChIInChI=1S/C13H17NOS2/c1-14(9-11-5-3-2-4-6-11)13(15)12-10-16-7-8-17-12/h2-6,12H,7-10H2,1H3
InChIKeyILIDCRTUMUNMQA-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.49
Rot. Bonds3

About N-benzyl-N-methyl-1,4-dithiane-2-carboxamide

N-benzyl-N-methyl-1,4-dithiane-2-carboxamide (PubChem CID 112760137) has the molecular formula C13H17NOS2 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-1,4-dithiane-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1,4-dithiane-2-carboxamide
PubChem CID112760137
Molecular FormulaC13H17NOS2
Molecular Weight267.42 g/mol
Exact Mass267.08
IUPAC NameN-benzyl-N-methyl-1,4-dithiane-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CSCCS1
InChIInChI=1S/C13H17NOS2/c1-14(9-11-5-3-2-4-6-11)13(15)12-10-16-7-8-17-12/h2-6,12H,7-10H2,1H3
InChIKeyILIDCRTUMUNMQA-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 112761172
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N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-N-methylthiane-2-carboxamide
CID 80596295
N-benzyl-N-methylpiperidine-4-carboxamide
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N-benzyl-N-methyl-6-oxopiperidine-3-carboxamide
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(3S,4S)-N-benzyl-N,4-dimethylpyrrolidine-3-carboxamide
CID 98541238
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide
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N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1,4-dithiane-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1,4-dithiane-2-carboxamide (CID 112760137) is N-benzyl-N-methyl-1,4-dithiane-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1,4-dithiane-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1,4-dithiane-2-carboxamide is CN(Cc1ccccc1)C(=O)C1CSCCS1.
What is the InChIKey of N-benzyl-N-methyl-1,4-dithiane-2-carboxamide?
The InChIKey is ILIDCRTUMUNMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS2/c1-14(9-11-5-3-2-4-6-11)13(15)12-10-16-7-8-17-12/h2-6,12H,7-10H2,1H3.
What are the key properties of N-benzyl-N-methyl-1,4-dithiane-2-carboxamide?
N-benzyl-N-methyl-1,4-dithiane-2-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1,4-dithiane-2-carboxamide is sourced from PubChem (CID 112760137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).