1-[[(2-methylthian-3-yl)amino]methyl]cyclopentan-1-ol

C12H23NOS — CID 79956789

IUPAC1-[[(2-methylthian-3-yl)amino]methyl]cyclopentan-1-ol
SMILESCC1SCCCC1NCC1(O)CCCC1
InChIInChI=1S/C12H23NOS/c1-10-11(5-4-8-15-10)13-9-12(14)6-2-3-7-12/h10-11,13-14H,2-9H2,1H3
InChIKeyCVLYKKHETQAGOM-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.17
Rot. Bonds3

About 1-[[(2-methylthian-3-yl)amino]methyl]cyclopentan-1-ol

1-[[(2-methylthian-3-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 79956789) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-[[(2-methylthian-3-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2-methylthian-3-yl)amino]methyl]cyclopentan-1-ol
PubChem CID79956789
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name1-[[(2-methylthian-3-yl)amino]methyl]cyclopentan-1-ol
SMILESCC1SCCCC1NCC1(O)CCCC1
InChIInChI=1S/C12H23NOS/c1-10-11(5-4-8-15-10)13-9-12(14)6-2-3-7-12/h10-11,13-14H,2-9H2,1H3
InChIKeyCVLYKKHETQAGOM-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-methylthian-3-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2-methylthian-3-yl)amino]methyl]cyclopentan-1-ol (CID 79956789) is 1-[[(2-methylthian-3-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2-methylthian-3-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2-methylthian-3-yl)amino]methyl]cyclopentan-1-ol is CC1SCCCC1NCC1(O)CCCC1.
What is the InChIKey of 1-[[(2-methylthian-3-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is CVLYKKHETQAGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10-11(5-4-8-15-10)13-9-12(14)6-2-3-7-12/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 1-[[(2-methylthian-3-yl)amino]methyl]cyclopentan-1-ol?
1-[[(2-methylthian-3-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 229.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methylthian-3-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 79956789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).