3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine

C11H22N2S2 — CID 62871660

IUPAC3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine
SMILESCN(C1CCSC1)C1(CN)CCCSC1
InChIInChI=1S/C11H22N2S2/c1-13(10-3-6-14-7-10)11(8-12)4-2-5-15-9-11/h10H,2-9,12H2,1H3
InChIKeyGTKBZFGVHWIUSV-UHFFFAOYSA-N
MW246.44 g/mol
LogP1.65
Rot. Bonds3

About 3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine

3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine (PubChem CID 62871660) has the molecular formula C11H22N2S2 and a molecular weight of 246.44 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine
PubChem CID62871660
Molecular FormulaC11H22N2S2
Molecular Weight246.44 g/mol
Exact Mass246.12
IUPAC Name3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine
SMILESCN(C1CCSC1)C1(CN)CCCSC1
InChIInChI=1S/C11H22N2S2/c1-13(10-3-6-14-7-10)11(8-12)4-2-5-15-9-11/h10H,2-9,12H2,1H3
InChIKeyGTKBZFGVHWIUSV-UHFFFAOYSA-N
XLogP1.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine (CID 62871660) is 3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine is CN(C1CCSC1)C1(CN)CCCSC1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine?
The InChIKey is GTKBZFGVHWIUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S2/c1-13(10-3-6-14-7-10)11(8-12)4-2-5-15-9-11/h10H,2-9,12H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine?
3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine has a molecular weight of 246.44 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine is sourced from PubChem (CID 62871660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).