N-(4-prop-1-ynylphenyl)methanesulfinamide

C10H11NOS — CID 143511299

IUPACN-(4-prop-1-ynylphenyl)methanesulfinamide
SMILESCC#Cc1ccc(NS(C)=O)cc1
InChIInChI=1S/C10H11NOS/c1-3-4-9-5-7-10(8-6-9)11-13(2)12/h5-8,11H,1-2H3
InChIKeyDEYJNTUVDZKZDC-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.76
Rot. Bonds2

About N-(4-prop-1-ynylphenyl)methanesulfinamide

N-(4-prop-1-ynylphenyl)methanesulfinamide (PubChem CID 143511299) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is N-(4-prop-1-ynylphenyl)methanesulfinamide.

Molecular Properties

Compound NameN-(4-prop-1-ynylphenyl)methanesulfinamide
PubChem CID143511299
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC NameN-(4-prop-1-ynylphenyl)methanesulfinamide
SMILESCC#Cc1ccc(NS(C)=O)cc1
InChIInChI=1S/C10H11NOS/c1-3-4-9-5-7-10(8-6-9)11-13(2)12/h5-8,11H,1-2H3
InChIKeyDEYJNTUVDZKZDC-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-prop-1-ynylphenyl)methanesulfinamide?
The IUPAC name of N-(4-prop-1-ynylphenyl)methanesulfinamide (CID 143511299) is N-(4-prop-1-ynylphenyl)methanesulfinamide.
What is the SMILES notation for N-(4-prop-1-ynylphenyl)methanesulfinamide?
The canonical SMILES for N-(4-prop-1-ynylphenyl)methanesulfinamide is CC#Cc1ccc(NS(C)=O)cc1.
What is the InChIKey of N-(4-prop-1-ynylphenyl)methanesulfinamide?
The InChIKey is DEYJNTUVDZKZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-3-4-9-5-7-10(8-6-9)11-13(2)12/h5-8,11H,1-2H3.
What are the key properties of N-(4-prop-1-ynylphenyl)methanesulfinamide?
N-(4-prop-1-ynylphenyl)methanesulfinamide has a molecular weight of 193.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-prop-1-ynylphenyl)methanesulfinamide is sourced from PubChem (CID 143511299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).