N-methyl-N-phenylthiane-2-carboxamide

C13H17NOS — CID 110856898

IUPACN-methyl-N-phenylthiane-2-carboxamide
SMILESCN(C(=O)C1CCCCS1)c1ccccc1
InChIInChI=1S/C13H17NOS/c1-14(11-7-3-2-4-8-11)13(15)12-9-5-6-10-16-12/h2-4,7-8,12H,5-6,9-10H2,1H3
InChIKeyNTFGDICUUCAIHC-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.94
Rot. Bonds2

About N-methyl-N-phenylthiane-2-carboxamide

N-methyl-N-phenylthiane-2-carboxamide (PubChem CID 110856898) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-methyl-N-phenylthiane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenylthiane-2-carboxamide
PubChem CID110856898
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-methyl-N-phenylthiane-2-carboxamide
SMILESCN(C(=O)C1CCCCS1)c1ccccc1
InChIInChI=1S/C13H17NOS/c1-14(11-7-3-2-4-8-11)13(15)12-9-5-6-10-16-12/h2-4,7-8,12H,5-6,9-10H2,1H3
InChIKeyNTFGDICUUCAIHC-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylthiane-2-carboxamide?
The IUPAC name of N-methyl-N-phenylthiane-2-carboxamide (CID 110856898) is N-methyl-N-phenylthiane-2-carboxamide.
What is the SMILES notation for N-methyl-N-phenylthiane-2-carboxamide?
The canonical SMILES for N-methyl-N-phenylthiane-2-carboxamide is CN(C(=O)C1CCCCS1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenylthiane-2-carboxamide?
The InChIKey is NTFGDICUUCAIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-14(11-7-3-2-4-8-11)13(15)12-9-5-6-10-16-12/h2-4,7-8,12H,5-6,9-10H2,1H3.
What are the key properties of N-methyl-N-phenylthiane-2-carboxamide?
N-methyl-N-phenylthiane-2-carboxamide has a molecular weight of 235.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylthiane-2-carboxamide is sourced from PubChem (CID 110856898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).