1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine

C9H17NO2S — CID 46204799

IUPAC1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine
SMILESNC1([C@H]2CCS2(=O)=O)CCCCC1
InChIInChI=1S/C9H17NO2S/c10-9(5-2-1-3-6-9)8-4-7-13(8,11)12/h8H,1-7,10H2/t8-/m1/s1
InChIKeyMZBASEHLFLGBPZ-MRVPVSSYSA-N
MW203.31 g/mol
LogP0.84
Rot. Bonds1

About 1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine

1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine (PubChem CID 46204799) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine
PubChem CID46204799
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine
SMILESNC1([C@H]2CCS2(=O)=O)CCCCC1
InChIInChI=1S/C9H17NO2S/c10-9(5-2-1-3-6-9)8-4-7-13(8,11)12/h8H,1-7,10H2/t8-/m1/s1
InChIKeyMZBASEHLFLGBPZ-MRVPVSSYSA-N
XLogP0.84
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine?
The IUPAC name of 1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine (CID 46204799) is 1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine is NC1([C@H]2CCS2(=O)=O)CCCCC1.
What is the InChIKey of 1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine?
The InChIKey is MZBASEHLFLGBPZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2S/c10-9(5-2-1-3-6-9)8-4-7-13(8,11)12/h8H,1-7,10H2/t8-/m1/s1.
What are the key properties of 1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine?
1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine has a molecular weight of 203.31 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1,1-dioxothietan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 46204799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).