1-(1,1-dioxothian-2-yl)cyclohexan-1-amine

C11H21NO2S — CID 71216253

IUPAC1-(1,1-dioxothian-2-yl)cyclohexan-1-amine
SMILESNC1(C2CCCCS2(=O)=O)CCCCC1
InChIInChI=1S/C11H21NO2S/c12-11(7-3-1-4-8-11)10-6-2-5-9-15(10,13)14/h10H,1-9,12H2
InChIKeySSWXZCJKZSRQIK-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.62
Rot. Bonds1

About 1-(1,1-dioxothian-2-yl)cyclohexan-1-amine

1-(1,1-dioxothian-2-yl)cyclohexan-1-amine (PubChem CID 71216253) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(1,1-dioxothian-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-2-yl)cyclohexan-1-amine
PubChem CID71216253
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name1-(1,1-dioxothian-2-yl)cyclohexan-1-amine
SMILESNC1(C2CCCCS2(=O)=O)CCCCC1
InChIInChI=1S/C11H21NO2S/c12-11(7-3-1-4-8-11)10-6-2-5-9-15(10,13)14/h10H,1-9,12H2
InChIKeySSWXZCJKZSRQIK-UHFFFAOYSA-N
XLogP1.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(1,1-dioxothian-2-yl)cyclohexan-1-amine (CID 71216253) is 1-(1,1-dioxothian-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(1,1-dioxothian-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(1,1-dioxothian-2-yl)cyclohexan-1-amine is NC1(C2CCCCS2(=O)=O)CCCCC1.
What is the InChIKey of 1-(1,1-dioxothian-2-yl)cyclohexan-1-amine?
The InChIKey is SSWXZCJKZSRQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c12-11(7-3-1-4-8-11)10-6-2-5-9-15(10,13)14/h10H,1-9,12H2.
What are the key properties of 1-(1,1-dioxothian-2-yl)cyclohexan-1-amine?
1-(1,1-dioxothian-2-yl)cyclohexan-1-amine has a molecular weight of 231.36 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 71216253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).