N-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide

C11H15NOS — CID 166899873

IUPACN-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide
SMILESCc1ccc(SC(C)C)c(NC=O)c1
InChIInChI=1S/C11H15NOS/c1-8(2)14-11-5-4-9(3)6-10(11)12-7-13/h4-8H,1-3H3,(H,12,13)
InChIKeyMXCHVMKBGVPRQQ-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.06
Rot. Bonds4

About N-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide

N-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide (PubChem CID 166899873) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide
PubChem CID166899873
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide
SMILESCc1ccc(SC(C)C)c(NC=O)c1
InChIInChI=1S/C11H15NOS/c1-8(2)14-11-5-4-9(3)6-10(11)12-7-13/h4-8H,1-3H3,(H,12,13)
InChIKeyMXCHVMKBGVPRQQ-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide?
The IUPAC name of N-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide (CID 166899873) is N-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide?
The canonical SMILES for N-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide is Cc1ccc(SC(C)C)c(NC=O)c1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide?
The InChIKey is MXCHVMKBGVPRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8(2)14-11-5-4-9(3)6-10(11)12-7-13/h4-8H,1-3H3,(H,12,13).
What are the key properties of N-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide?
N-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide has a molecular weight of 209.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide is sourced from PubChem (CID 166899873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).