2-(1,3-dithian-2-yl)propan-2-amine

C7H15NS2 — CID 89370954

IUPAC2-(1,3-dithian-2-yl)propan-2-amine
SMILESCC(C)(N)C1SCCCS1
InChIInChI=1S/C7H15NS2/c1-7(2,8)6-9-4-3-5-10-6/h6H,3-5,8H2,1-2H3
InChIKeyLCKAHCAQDKGVFS-UHFFFAOYSA-N
MW177.34 g/mol
LogP1.92
Rot. Bonds1

About 2-(1,3-dithian-2-yl)propan-2-amine

2-(1,3-dithian-2-yl)propan-2-amine (PubChem CID 89370954) has the molecular formula C7H15NS2 and a molecular weight of 177.34 g/mol. Its IUPAC name is 2-(1,3-dithian-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(1,3-dithian-2-yl)propan-2-amine
PubChem CID89370954
Molecular FormulaC7H15NS2
Molecular Weight177.34 g/mol
Exact Mass177.06
IUPAC Name2-(1,3-dithian-2-yl)propan-2-amine
SMILESCC(C)(N)C1SCCCS1
InChIInChI=1S/C7H15NS2/c1-7(2,8)6-9-4-3-5-10-6/h6H,3-5,8H2,1-2H3
InChIKeyLCKAHCAQDKGVFS-UHFFFAOYSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithian-2-yl)propan-2-amine?
The IUPAC name of 2-(1,3-dithian-2-yl)propan-2-amine (CID 89370954) is 2-(1,3-dithian-2-yl)propan-2-amine.
What is the SMILES notation for 2-(1,3-dithian-2-yl)propan-2-amine?
The canonical SMILES for 2-(1,3-dithian-2-yl)propan-2-amine is CC(C)(N)C1SCCCS1.
What is the InChIKey of 2-(1,3-dithian-2-yl)propan-2-amine?
The InChIKey is LCKAHCAQDKGVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS2/c1-7(2,8)6-9-4-3-5-10-6/h6H,3-5,8H2,1-2H3.
What are the key properties of 2-(1,3-dithian-2-yl)propan-2-amine?
2-(1,3-dithian-2-yl)propan-2-amine has a molecular weight of 177.34 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithian-2-yl)propan-2-amine is sourced from PubChem (CID 89370954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).