(R)-N-phenylprop-1-yne-1-sulfinamide

C9H9NOS — CID 40532337

IUPAC(R)-N-phenylprop-1-yne-1-sulfinamide
SMILESCC#C[S@@](=O)Nc1ccccc1
InChIInChI=1S/C9H9NOS/c1-2-8-12(11)10-9-6-4-3-5-7-9/h3-7,10H,1H3/t12-/m1/s1
InChIKeyWOHRCZNNXIHLFI-GFCCVEGCSA-N
MW179.24 g/mol
LogP1.74
Rot. Bonds2

About (R)-N-phenylprop-1-yne-1-sulfinamide

(R)-N-phenylprop-1-yne-1-sulfinamide (PubChem CID 40532337) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is (R)-N-phenylprop-1-yne-1-sulfinamide.

Molecular Properties

Compound Name(R)-N-phenylprop-1-yne-1-sulfinamide
PubChem CID40532337
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name(R)-N-phenylprop-1-yne-1-sulfinamide
SMILESCC#C[S@@](=O)Nc1ccccc1
InChIInChI=1S/C9H9NOS/c1-2-8-12(11)10-9-6-4-3-5-7-9/h3-7,10H,1H3/t12-/m1/s1
InChIKeyWOHRCZNNXIHLFI-GFCCVEGCSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-N-phenylmethanesulfinamide
CID 141055772
ethanamine;(sulfinatoamino)benzene
CID 68776959
N'-phenylmethanesulfinohydrazide
CID 141009109
phenylsulfinamoyl acetate
CID 70492753
potassium;hydride;N-methylaniline
CID 174147350
2-hydroxy-3-methyl-N-phenylbenzenesulfinamide
CID 21135285
4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 100976473
magnesium;hydride;N-methylaniline;hydrobromide
CID 173230530
2-methoxy-3-methyl-N-phenylbenzenesulfinamide
CID 21135236
1,1,1-tribromo-N-phenylmethanesulfonamide
CID 23576861
1-(phenylcarbamoyl)-4-(sulfinoamino)benzene
CID 19977257
CID 157283458
CID 157283458

Frequently Asked Questions

What is the IUPAC name of (R)-N-phenylprop-1-yne-1-sulfinamide?
The IUPAC name of (R)-N-phenylprop-1-yne-1-sulfinamide (CID 40532337) is (R)-N-phenylprop-1-yne-1-sulfinamide.
What is the SMILES notation for (R)-N-phenylprop-1-yne-1-sulfinamide?
The canonical SMILES for (R)-N-phenylprop-1-yne-1-sulfinamide is CC#C[S@@](=O)Nc1ccccc1.
What is the InChIKey of (R)-N-phenylprop-1-yne-1-sulfinamide?
The InChIKey is WOHRCZNNXIHLFI-GFCCVEGCSA-N. The full InChI is InChI=1S/C9H9NOS/c1-2-8-12(11)10-9-6-4-3-5-7-9/h3-7,10H,1H3/t12-/m1/s1.
What are the key properties of (R)-N-phenylprop-1-yne-1-sulfinamide?
(R)-N-phenylprop-1-yne-1-sulfinamide has a molecular weight of 179.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-phenylprop-1-yne-1-sulfinamide is sourced from PubChem (CID 40532337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).