1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine

C10H23NO2S — CID 64659984

IUPAC1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine
SMILESCOCCCS(=O)CC(N)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-10(2,3)9(11)8-14(12)7-5-6-13-4/h9H,5-8,11H2,1-4H3
InChIKeyRPEWIHVJWLILAS-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.14
Rot. Bonds6

About 1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine

1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine (PubChem CID 64659984) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine
PubChem CID64659984
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine
SMILESCOCCCS(=O)CC(N)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-10(2,3)9(11)8-14(12)7-5-6-13-4/h9H,5-8,11H2,1-4H3
InChIKeyRPEWIHVJWLILAS-UHFFFAOYSA-N
XLogP1.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine (CID 64659984) is 1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine is COCCCS(=O)CC(N)C(C)(C)C.
What is the InChIKey of 1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine?
The InChIKey is RPEWIHVJWLILAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-10(2,3)9(11)8-14(12)7-5-6-13-4/h9H,5-8,11H2,1-4H3.
What are the key properties of 1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine?
1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine has a molecular weight of 221.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropylsulfinyl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 64659984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).