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

C10H19NO2S — CID 46205113

IUPAC1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexan-1-amine
SMILESNC1([C@H]2CCCS2(=O)=O)CCCCC1
InChIInChI=1S/C10H19NO2S/c11-10(6-2-1-3-7-10)9-5-4-8-14(9,12)13/h9H,1-8,11H2/t9-/m1/s1
InChIKeyRESKHPIWXVGNSY-SECBINFHSA-N
MW217.33 g/mol
LogP1.23
Rot. Bonds1

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

1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexan-1-amine (PubChem CID 46205113) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexan-1-amine
PubChem CID46205113
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexan-1-amine
SMILESNC1([C@H]2CCCS2(=O)=O)CCCCC1
InChIInChI=1S/C10H19NO2S/c11-10(6-2-1-3-7-10)9-5-4-8-14(9,12)13/h9H,1-8,11H2/t9-/m1/s1
InChIKeyRESKHPIWXVGNSY-SECBINFHSA-N
XLogP1.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.23
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-dioxothiolan-2-yl]cyclohexan-1-amine?
The IUPAC name of 1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexan-1-amine (CID 46205113) is 1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexan-1-amine is NC1([C@H]2CCCS2(=O)=O)CCCCC1.
What is the InChIKey of 1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexan-1-amine?
The InChIKey is RESKHPIWXVGNSY-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO2S/c11-10(6-2-1-3-7-10)9-5-4-8-14(9,12)13/h9H,1-8,11H2/t9-/m1/s1.
What are the key properties of 1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexan-1-amine?
1-[(2R)-1,1-dioxothiolan-2-yl]cyclohexan-1-amine has a molecular weight of 217.33 g/mol, XLogP of 1.23, 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-dioxothiolan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 46205113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).