1-[(thian-3-ylamino)methyl]cyclopentan-1-ol

C11H21NOS — CID 65107010

IUPAC1-[(thian-3-ylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNC2CCCSC2)CCCC1
InChIInChI=1S/C11H21NOS/c13-11(5-1-2-6-11)9-12-10-4-3-7-14-8-10/h10,12-13H,1-9H2
InChIKeyWLMKDOJEXUNTIR-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.78
Rot. Bonds3

About 1-[(thian-3-ylamino)methyl]cyclopentan-1-ol

1-[(thian-3-ylamino)methyl]cyclopentan-1-ol (PubChem CID 65107010) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 1-[(thian-3-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(thian-3-ylamino)methyl]cyclopentan-1-ol
PubChem CID65107010
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name1-[(thian-3-ylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNC2CCCSC2)CCCC1
InChIInChI=1S/C11H21NOS/c13-11(5-1-2-6-11)9-12-10-4-3-7-14-8-10/h10,12-13H,1-9H2
InChIKeyWLMKDOJEXUNTIR-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(thian-3-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(thian-3-ylamino)methyl]cyclopentan-1-ol (CID 65107010) is 1-[(thian-3-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(thian-3-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(thian-3-ylamino)methyl]cyclopentan-1-ol is OC1(CNC2CCCSC2)CCCC1.
What is the InChIKey of 1-[(thian-3-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is WLMKDOJEXUNTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c13-11(5-1-2-6-11)9-12-10-4-3-7-14-8-10/h10,12-13H,1-9H2.
What are the key properties of 1-[(thian-3-ylamino)methyl]cyclopentan-1-ol?
1-[(thian-3-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 215.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(thian-3-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65107010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).