(3-methylthiolan-3-yl)methanamine

C6H13NS — CID 83815041

IUPAC(3-methylthiolan-3-yl)methanamine
SMILESCC1(CN)CCSC1
InChIInChI=1S/C6H13NS/c1-6(4-7)2-3-8-5-6/h2-5,7H2,1H3
InChIKeyVSBSYRUUBHYJDL-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.09
Rot. Bonds1

About (3-methylthiolan-3-yl)methanamine

(3-methylthiolan-3-yl)methanamine (PubChem CID 83815041) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (3-methylthiolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-methylthiolan-3-yl)methanamine
PubChem CID83815041
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(3-methylthiolan-3-yl)methanamine
SMILESCC1(CN)CCSC1
InChIInChI=1S/C6H13NS/c1-6(4-7)2-3-8-5-6/h2-5,7H2,1H3
InChIKeyVSBSYRUUBHYJDL-UHFFFAOYSA-N
XLogP1.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiolan-3-yl)methanamine?
The IUPAC name of (3-methylthiolan-3-yl)methanamine (CID 83815041) is (3-methylthiolan-3-yl)methanamine.
What is the SMILES notation for (3-methylthiolan-3-yl)methanamine?
The canonical SMILES for (3-methylthiolan-3-yl)methanamine is CC1(CN)CCSC1.
What is the InChIKey of (3-methylthiolan-3-yl)methanamine?
The InChIKey is VSBSYRUUBHYJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-6(4-7)2-3-8-5-6/h2-5,7H2,1H3.
What are the key properties of (3-methylthiolan-3-yl)methanamine?
(3-methylthiolan-3-yl)methanamine has a molecular weight of 131.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiolan-3-yl)methanamine is sourced from PubChem (CID 83815041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).