2-amino-1-(2-methylthiolan-2-yl)ethanol

C7H15NOS — CID 115012704

IUPAC2-amino-1-(2-methylthiolan-2-yl)ethanol
SMILESCC1(C(O)CN)CCCS1
InChIInChI=1S/C7H15NOS/c1-7(6(9)5-8)3-2-4-10-7/h6,9H,2-5,8H2,1H3
InChIKeyQCVREKMGHCOEDW-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.59
Rot. Bonds2

About 2-amino-1-(2-methylthiolan-2-yl)ethanol

2-amino-1-(2-methylthiolan-2-yl)ethanol (PubChem CID 115012704) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-amino-1-(2-methylthiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-methylthiolan-2-yl)ethanol
PubChem CID115012704
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-amino-1-(2-methylthiolan-2-yl)ethanol
SMILESCC1(C(O)CN)CCCS1
InChIInChI=1S/C7H15NOS/c1-7(6(9)5-8)3-2-4-10-7/h6,9H,2-5,8H2,1H3
InChIKeyQCVREKMGHCOEDW-UHFFFAOYSA-N
XLogP0.59
TPSA46.25 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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methylthiolan-2-yl)ethanol?
The IUPAC name of 2-amino-1-(2-methylthiolan-2-yl)ethanol (CID 115012704) is 2-amino-1-(2-methylthiolan-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(2-methylthiolan-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(2-methylthiolan-2-yl)ethanol is CC1(C(O)CN)CCCS1.
What is the InChIKey of 2-amino-1-(2-methylthiolan-2-yl)ethanol?
The InChIKey is QCVREKMGHCOEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(6(9)5-8)3-2-4-10-7/h6,9H,2-5,8H2,1H3.
What are the key properties of 2-amino-1-(2-methylthiolan-2-yl)ethanol?
2-amino-1-(2-methylthiolan-2-yl)ethanol has a molecular weight of 161.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methylthiolan-2-yl)ethanol is sourced from PubChem (CID 115012704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).