3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol

C11H21NOS — CID 130519953

IUPAC3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol
SMILESCC1CSCC1NCC1CCC(O)C1
InChIInChI=1S/C11H21NOS/c1-8-6-14-7-11(8)12-5-9-2-3-10(13)4-9/h8-13H,2-7H2,1H3
InChIKeyFMTZJYKKTOGGMP-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.49
Rot. Bonds3

About 3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol

3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 130519953) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol
PubChem CID130519953
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol
SMILESCC1CSCC1NCC1CCC(O)C1
InChIInChI=1S/C11H21NOS/c1-8-6-14-7-11(8)12-5-9-2-3-10(13)4-9/h8-13H,2-7H2,1H3
InChIKeyFMTZJYKKTOGGMP-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol (CID 130519953) is 3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol is CC1CSCC1NCC1CCC(O)C1.
What is the InChIKey of 3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is FMTZJYKKTOGGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-8-6-14-7-11(8)12-5-9-2-3-10(13)4-9/h8-13H,2-7H2,1H3.
What are the key properties of 3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol?
3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 215.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 130519953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).