1-prop-1-ynylsulfinylpropan-2-amine

C6H11NOS — CID 91440007

IUPAC1-prop-1-ynylsulfinylpropan-2-amine
SMILESCC#CS(=O)CC(C)N
InChIInChI=1S/C6H11NOS/c1-3-4-9(8)5-6(2)7/h6H,5,7H2,1-2H3
InChIKeyMJRRRIBKASOMNX-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.06
Rot. Bonds2

About 1-prop-1-ynylsulfinylpropan-2-amine

1-prop-1-ynylsulfinylpropan-2-amine (PubChem CID 91440007) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 1-prop-1-ynylsulfinylpropan-2-amine.

Molecular Properties

Compound Name1-prop-1-ynylsulfinylpropan-2-amine
PubChem CID91440007
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name1-prop-1-ynylsulfinylpropan-2-amine
SMILESCC#CS(=O)CC(C)N
InChIInChI=1S/C6H11NOS/c1-3-4-9(8)5-6(2)7/h6H,5,7H2,1-2H3
InChIKeyMJRRRIBKASOMNX-UHFFFAOYSA-N
XLogP0.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-prop-1-ynylsulfinylpropan-2-amine?
The IUPAC name of 1-prop-1-ynylsulfinylpropan-2-amine (CID 91440007) is 1-prop-1-ynylsulfinylpropan-2-amine.
What is the SMILES notation for 1-prop-1-ynylsulfinylpropan-2-amine?
The canonical SMILES for 1-prop-1-ynylsulfinylpropan-2-amine is CC#CS(=O)CC(C)N.
What is the InChIKey of 1-prop-1-ynylsulfinylpropan-2-amine?
The InChIKey is MJRRRIBKASOMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-3-4-9(8)5-6(2)7/h6H,5,7H2,1-2H3.
What are the key properties of 1-prop-1-ynylsulfinylpropan-2-amine?
1-prop-1-ynylsulfinylpropan-2-amine has a molecular weight of 145.23 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-ynylsulfinylpropan-2-amine is sourced from PubChem (CID 91440007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).