1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol

C12H23NOS — CID 80723762

IUPAC1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCC1(CNCC2(O)CCCC2)CCCS1
InChIInChI=1S/C12H23NOS/c1-11(5-4-8-15-11)9-13-10-12(14)6-2-3-7-12/h13-14H,2-10H2,1H3
InChIKeyFSYSXWCSXGCIRB-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.17
Rot. Bonds4

About 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol

1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 80723762) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID80723762
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCC1(CNCC2(O)CCCC2)CCCS1
InChIInChI=1S/C12H23NOS/c1-11(5-4-8-15-11)9-13-10-12(14)6-2-3-7-12/h13-14H,2-10H2,1H3
InChIKeyFSYSXWCSXGCIRB-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol (CID 80723762) is 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol is CC1(CNCC2(O)CCCC2)CCCS1.
What is the InChIKey of 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is FSYSXWCSXGCIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-11(5-4-8-15-11)9-13-10-12(14)6-2-3-7-12/h13-14H,2-10H2,1H3.
What are the key properties of 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol?
1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 229.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 80723762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).