1-phenylpropane-2-sulfinamide

C9H13NOS — CID 172767842

IUPAC1-phenylpropane-2-sulfinamide
SMILESCC(Cc1ccccc1)S(N)=O
InChIInChI=1S/C9H13NOS/c1-8(12(10)11)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChIKeyMOAIJRGFSKCZOU-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.24
Rot. Bonds3

About 1-phenylpropane-2-sulfinamide

1-phenylpropane-2-sulfinamide (PubChem CID 172767842) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-phenylpropane-2-sulfinamide.

Molecular Properties

Compound Name1-phenylpropane-2-sulfinamide
PubChem CID172767842
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-phenylpropane-2-sulfinamide
SMILESCC(Cc1ccccc1)S(N)=O
InChIInChI=1S/C9H13NOS/c1-8(12(10)11)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChIKeyMOAIJRGFSKCZOU-UHFFFAOYSA-N
XLogP1.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
azane;1-phenylpropan-2-amine
CID 67350534
ethane;2-methylpropylbenzene
CID 162200929
2-methyl-3-phenylpropan-1-amine
CID 12672558
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
2-(1-amino-1-oxopropan-2-yl)sulfinyl-3-phenylpropanoic acid
CID 54883315
(2-benzyl-3-methylbutyl)benzene
CID 22277918
2,3-dimethylbutylbenzene
CID 12054035
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520
butan-2-ylsulfinylmethylbenzene
CID 13450422
(2R)-1-phenylpropan-2-amine;phosphoric acid
CID 76961595

Frequently Asked Questions

What is the IUPAC name of 1-phenylpropane-2-sulfinamide?
The IUPAC name of 1-phenylpropane-2-sulfinamide (CID 172767842) is 1-phenylpropane-2-sulfinamide.
What is the SMILES notation for 1-phenylpropane-2-sulfinamide?
The canonical SMILES for 1-phenylpropane-2-sulfinamide is CC(Cc1ccccc1)S(N)=O.
What is the InChIKey of 1-phenylpropane-2-sulfinamide?
The InChIKey is MOAIJRGFSKCZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-8(12(10)11)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3.
What are the key properties of 1-phenylpropane-2-sulfinamide?
1-phenylpropane-2-sulfinamide has a molecular weight of 183.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropane-2-sulfinamide is sourced from PubChem (CID 172767842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).