[3-(methylamino)thian-3-yl]methanol

C7H15NOS — CID 62872215

IUPAC[3-(methylamino)thian-3-yl]methanol
SMILESCNC1(CO)CCCSC1
InChIInChI=1S/C7H15NOS/c1-8-7(5-9)3-2-4-10-6-7/h8-9H,2-6H2,1H3
InChIKeySJAVKGCWMWXADB-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.46
Rot. Bonds2

About [3-(methylamino)thian-3-yl]methanol

[3-(methylamino)thian-3-yl]methanol (PubChem CID 62872215) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is [3-(methylamino)thian-3-yl]methanol.

Molecular Properties

Compound Name[3-(methylamino)thian-3-yl]methanol
PubChem CID62872215
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name[3-(methylamino)thian-3-yl]methanol
SMILESCNC1(CO)CCCSC1
InChIInChI=1S/C7H15NOS/c1-8-7(5-9)3-2-4-10-6-7/h8-9H,2-6H2,1H3
InChIKeySJAVKGCWMWXADB-UHFFFAOYSA-N
XLogP0.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)thian-3-yl]methanol?
The IUPAC name of [3-(methylamino)thian-3-yl]methanol (CID 62872215) is [3-(methylamino)thian-3-yl]methanol.
What is the SMILES notation for [3-(methylamino)thian-3-yl]methanol?
The canonical SMILES for [3-(methylamino)thian-3-yl]methanol is CNC1(CO)CCCSC1.
What is the InChIKey of [3-(methylamino)thian-3-yl]methanol?
The InChIKey is SJAVKGCWMWXADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-8-7(5-9)3-2-4-10-6-7/h8-9H,2-6H2,1H3.
What are the key properties of [3-(methylamino)thian-3-yl]methanol?
[3-(methylamino)thian-3-yl]methanol has a molecular weight of 161.27 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)thian-3-yl]methanol is sourced from PubChem (CID 62872215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).