3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine

C10H24N2O2S2 — CID 159301390

IUPAC3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine
SMILESC=CCS(=O)CCCN.CS(=O)CCCN
InChIInChI=1S/C6H13NOS.C4H11NOS/c1-2-5-9(8)6-3-4-7;1-7(6)4-2-3-5/h2H,1,3-7H2;2-5H2,1H3
InChIKeyLBJNKABBIWOVMN-UHFFFAOYSA-N
MW268.45 g/mol
LogP-0.02
Rot. Bonds8

About 3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine

3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine (PubChem CID 159301390) has the molecular formula C10H24N2O2S2 and a molecular weight of 268.45 g/mol. Its IUPAC name is 3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine.

Molecular Properties

Compound Name3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine
PubChem CID159301390
Molecular FormulaC10H24N2O2S2
Molecular Weight268.45 g/mol
Exact Mass268.13
IUPAC Name3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine
SMILESC=CCS(=O)CCCN.CS(=O)CCCN
InChIInChI=1S/C6H13NOS.C4H11NOS/c1-2-5-9(8)6-3-4-7;1-7(6)4-2-3-5/h2H,1,3-7H2;2-5H2,1H3
InChIKeyLBJNKABBIWOVMN-UHFFFAOYSA-N
XLogP-0.02
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine?
The IUPAC name of 3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine (CID 159301390) is 3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine.
What is the SMILES notation for 3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine?
The canonical SMILES for 3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine is C=CCS(=O)CCCN.CS(=O)CCCN.
What is the InChIKey of 3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine?
The InChIKey is LBJNKABBIWOVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS.C4H11NOS/c1-2-5-9(8)6-3-4-7;1-7(6)4-2-3-5/h2H,1,3-7H2;2-5H2,1H3.
What are the key properties of 3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine?
3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine has a molecular weight of 268.45 g/mol, XLogP of -0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine is sourced from PubChem (CID 159301390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).