1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane

C8H17NOS — CID 167654749

IUPAC1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane
SMILESOC1([C@@H]2CCN2)CCCC1.S
InChIInChI=1S/C8H15NO.H2S/c10-8(4-1-2-5-8)7-3-6-9-7;/h7,9-10H,1-6H2;1H2/t7-;/m0./s1
InChIKeyRCANTZFUXRSRJL-FJXQXJEOSA-N
MW175.30 g/mol
LogP0.77
Rot. Bonds1

About 1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane

1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane (PubChem CID 167654749) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane.

Molecular Properties

Compound Name1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane
PubChem CID167654749
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane
SMILESOC1([C@@H]2CCN2)CCCC1.S
InChIInChI=1S/C8H15NO.H2S/c10-8(4-1-2-5-8)7-3-6-9-7;/h7,9-10H,1-6H2;1H2/t7-;/m0./s1
InChIKeyRCANTZFUXRSRJL-FJXQXJEOSA-N
XLogP0.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane?
The IUPAC name of 1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane (CID 167654749) is 1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane.
What is the SMILES notation for 1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane?
The canonical SMILES for 1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane is OC1([C@@H]2CCN2)CCCC1.S.
What is the InChIKey of 1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane?
The InChIKey is RCANTZFUXRSRJL-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H15NO.H2S/c10-8(4-1-2-5-8)7-3-6-9-7;/h7,9-10H,1-6H2;1H2/t7-;/m0./s1.
What are the key properties of 1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane?
1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane has a molecular weight of 175.30 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-azetidin-2-yl]cyclopentan-1-ol;sulfane is sourced from PubChem (CID 167654749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).