N-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide

C14H19NOS2 — CID 112765567

IUPACN-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide
SMILESCC(C)c1cccc(NC(=O)C2CSCCS2)c1
InChIInChI=1S/C14H19NOS2/c1-10(2)11-4-3-5-12(8-11)15-14(16)13-9-17-6-7-18-13/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,15,16)
InChIKeyAXFNDJJICSKFJE-UHFFFAOYSA-N
MW281.45 g/mol
LogP3.60
Rot. Bonds3

About N-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide

N-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide (PubChem CID 112765567) has the molecular formula C14H19NOS2 and a molecular weight of 281.45 g/mol. Its IUPAC name is N-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide
PubChem CID112765567
Molecular FormulaC14H19NOS2
Molecular Weight281.45 g/mol
Exact Mass281.09
IUPAC NameN-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide
SMILESCC(C)c1cccc(NC(=O)C2CSCCS2)c1
InChIInChI=1S/C14H19NOS2/c1-10(2)11-4-3-5-12(8-11)15-14(16)13-9-17-6-7-18-13/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,15,16)
InChIKeyAXFNDJJICSKFJE-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide
CID 172505604
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CID 60848284
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
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N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-1,4-dithiane-2-carboxamide
CID 155946084
1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
CID 47133190
N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 43204585
2-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 106738709
4-oxo-4-(3-propan-2-ylanilino)butanoic acid
CID 43396404
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
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3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide?
The IUPAC name of N-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide (CID 112765567) is N-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide.
What is the SMILES notation for N-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide?
The canonical SMILES for N-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide is CC(C)c1cccc(NC(=O)C2CSCCS2)c1.
What is the InChIKey of N-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide?
The InChIKey is AXFNDJJICSKFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS2/c1-10(2)11-4-3-5-12(8-11)15-14(16)13-9-17-6-7-18-13/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of N-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide?
N-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide has a molecular weight of 281.45 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide is sourced from PubChem (CID 112765567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).