methyl(thiolan-2-ylmethyl)azanide

C6H12NS- — CID 155624688

IUPACmethyl(thiolan-2-ylmethyl)azanide
SMILESC[N-]CC1CCCS1
InChIInChI=1S/C6H12NS/c1-7-5-6-3-2-4-8-6/h6H,2-5H2,1H3/q-1
InChIKeyIWSIIWUDKLWZOA-UHFFFAOYSA-N
MW130.24 g/mol
LogP1.89
Rot. Bonds2

About methyl(thiolan-2-ylmethyl)azanide

methyl(thiolan-2-ylmethyl)azanide (PubChem CID 155624688) has the molecular formula C6H12NS- and a molecular weight of 130.24 g/mol. Its IUPAC name is methyl(thiolan-2-ylmethyl)azanide.

Molecular Properties

Compound Namemethyl(thiolan-2-ylmethyl)azanide
PubChem CID155624688
Molecular FormulaC6H12NS-
Molecular Weight130.24 g/mol
Exact Mass130.07
IUPAC Namemethyl(thiolan-2-ylmethyl)azanide
SMILESC[N-]CC1CCCS1
InChIInChI=1S/C6H12NS/c1-7-5-6-3-2-4-8-6/h6H,2-5H2,1H3/q-1
InChIKeyIWSIIWUDKLWZOA-UHFFFAOYSA-N
XLogP1.89
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methyl(thiolan-2-ylmethyl)azanide?
The IUPAC name of methyl(thiolan-2-ylmethyl)azanide (CID 155624688) is methyl(thiolan-2-ylmethyl)azanide.
What is the SMILES notation for methyl(thiolan-2-ylmethyl)azanide?
The canonical SMILES for methyl(thiolan-2-ylmethyl)azanide is C[N-]CC1CCCS1.
What is the InChIKey of methyl(thiolan-2-ylmethyl)azanide?
The InChIKey is IWSIIWUDKLWZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NS/c1-7-5-6-3-2-4-8-6/h6H,2-5H2,1H3/q-1.
What are the key properties of methyl(thiolan-2-ylmethyl)azanide?
methyl(thiolan-2-ylmethyl)azanide has a molecular weight of 130.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(thiolan-2-ylmethyl)azanide is sourced from PubChem (CID 155624688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).