5,5-dimethylthiolan-3-amine

C6H13NS — CID 59657851

IUPAC5,5-dimethylthiolan-3-amine
SMILESCC1(C)CC(N)CS1
InChIInChI=1S/C6H13NS/c1-6(2)3-5(7)4-8-6/h5H,3-4,7H2,1-2H3
InChIKeyQNYDGBPGJHCPDX-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.23
Rot. Bonds

About 5,5-dimethylthiolan-3-amine

5,5-dimethylthiolan-3-amine (PubChem CID 59657851) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 5,5-dimethylthiolan-3-amine.

Molecular Properties

Compound Name5,5-dimethylthiolan-3-amine
PubChem CID59657851
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name5,5-dimethylthiolan-3-amine
SMILESCC1(C)CC(N)CS1
InChIInChI=1S/C6H13NS/c1-6(2)3-5(7)4-8-6/h5H,3-4,7H2,1-2H3
InChIKeyQNYDGBPGJHCPDX-UHFFFAOYSA-N
XLogP1.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylthiolan-3-amine?
The IUPAC name of 5,5-dimethylthiolan-3-amine (CID 59657851) is 5,5-dimethylthiolan-3-amine.
What is the SMILES notation for 5,5-dimethylthiolan-3-amine?
The canonical SMILES for 5,5-dimethylthiolan-3-amine is CC1(C)CC(N)CS1.
What is the InChIKey of 5,5-dimethylthiolan-3-amine?
The InChIKey is QNYDGBPGJHCPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-6(2)3-5(7)4-8-6/h5H,3-4,7H2,1-2H3.
What are the key properties of 5,5-dimethylthiolan-3-amine?
5,5-dimethylthiolan-3-amine has a molecular weight of 131.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylthiolan-3-amine is sourced from PubChem (CID 59657851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).