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

C12H23NO2S — CID 115074255

IUPAC1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine
SMILESNC1(CCC2CCCS2(=O)=O)CCCCC1
InChIInChI=1S/C12H23NO2S/c13-12(7-2-1-3-8-12)9-6-11-5-4-10-16(11,14)15/h11H,1-10,13H2
InChIKeySUSIOZAXPKZBPH-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.01
Rot. Bonds3

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

1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 115074255) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine
PubChem CID115074255
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine
SMILESNC1(CCC2CCCS2(=O)=O)CCCCC1
InChIInChI=1S/C12H23NO2S/c13-12(7-2-1-3-8-12)9-6-11-5-4-10-16(11,14)15/h11H,1-10,13H2
InChIKeySUSIOZAXPKZBPH-UHFFFAOYSA-N
XLogP2.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine (CID 115074255) is 1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine is NC1(CCC2CCCS2(=O)=O)CCCCC1.
What is the InChIKey of 1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is SUSIOZAXPKZBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c13-12(7-2-1-3-8-12)9-6-11-5-4-10-16(11,14)15/h11H,1-10,13H2.
What are the key properties of 1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine?
1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 115074255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).