N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide

C12H15NOS — CID 974968

IUPACN-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC2CC2)cc1
InChIInChI=1S/C12H15NOS/c1-9-2-6-11(7-3-9)15-8-12(14)13-10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,13,14)
InChIKeyTXKDSEDMOMHPFR-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.37
Rot. Bonds4

About N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide

N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 974968) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide
PubChem CID974968
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC NameN-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC2CC2)cc1
InChIInChI=1S/C12H15NOS/c1-9-2-6-11(7-3-9)15-8-12(14)13-10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,13,14)
InChIKeyTXKDSEDMOMHPFR-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide (CID 974968) is N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is TXKDSEDMOMHPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-9-2-6-11(7-3-9)15-8-12(14)13-10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,13,14).
What are the key properties of N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide?
N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 221.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 974968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).