2-methylsulfanylpropan-2-amine

C4H11NS — CID 88936861

IUPAC2-methylsulfanylpropan-2-amine
SMILESCSC(C)(C)N
InChIInChI=1S/C4H11NS/c1-4(2,5)6-3/h5H2,1-3H3
InChIKeyIGOOTPPOLAYIRE-UHFFFAOYSA-N
MW105.21 g/mol
LogP1.04
Rot. Bonds1

About 2-methylsulfanylpropan-2-amine

2-methylsulfanylpropan-2-amine (PubChem CID 88936861) has the molecular formula C4H11NS and a molecular weight of 105.21 g/mol. Its IUPAC name is 2-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name2-methylsulfanylpropan-2-amine
PubChem CID88936861
Molecular FormulaC4H11NS
Molecular Weight105.21 g/mol
Exact Mass105.06
IUPAC Name2-methylsulfanylpropan-2-amine
SMILESCSC(C)(C)N
InChIInChI=1S/C4H11NS/c1-4(2,5)6-3/h5H2,1-3H3
InChIKeyIGOOTPPOLAYIRE-UHFFFAOYSA-N
XLogP1.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpropan-2-amine?
The IUPAC name of 2-methylsulfanylpropan-2-amine (CID 88936861) is 2-methylsulfanylpropan-2-amine.
What is the SMILES notation for 2-methylsulfanylpropan-2-amine?
The canonical SMILES for 2-methylsulfanylpropan-2-amine is CSC(C)(C)N.
What is the InChIKey of 2-methylsulfanylpropan-2-amine?
The InChIKey is IGOOTPPOLAYIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS/c1-4(2,5)6-3/h5H2,1-3H3.
What are the key properties of 2-methylsulfanylpropan-2-amine?
2-methylsulfanylpropan-2-amine has a molecular weight of 105.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpropan-2-amine is sourced from PubChem (CID 88936861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).