2-(oxan-4-ylsulfonyl)cycloheptan-1-amine

C12H23NO3S — CID 64675294

IUPAC2-(oxan-4-ylsulfonyl)cycloheptan-1-amine
SMILESNC1CCCCCC1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H23NO3S/c13-11-4-2-1-3-5-12(11)17(14,15)10-6-8-16-9-7-10/h10-12H,1-9,13H2
InChIKeyAQZRCJCATMXSEI-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.24
Rot. Bonds2

About 2-(oxan-4-ylsulfonyl)cycloheptan-1-amine

2-(oxan-4-ylsulfonyl)cycloheptan-1-amine (PubChem CID 64675294) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(oxan-4-ylsulfonyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(oxan-4-ylsulfonyl)cycloheptan-1-amine
PubChem CID64675294
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name2-(oxan-4-ylsulfonyl)cycloheptan-1-amine
SMILESNC1CCCCCC1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H23NO3S/c13-11-4-2-1-3-5-12(11)17(14,15)10-6-8-16-9-7-10/h10-12H,1-9,13H2
InChIKeyAQZRCJCATMXSEI-UHFFFAOYSA-N
XLogP1.24
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylsulfonyl)cycloheptan-1-amine?
The IUPAC name of 2-(oxan-4-ylsulfonyl)cycloheptan-1-amine (CID 64675294) is 2-(oxan-4-ylsulfonyl)cycloheptan-1-amine.
What is the SMILES notation for 2-(oxan-4-ylsulfonyl)cycloheptan-1-amine?
The canonical SMILES for 2-(oxan-4-ylsulfonyl)cycloheptan-1-amine is NC1CCCCCC1S(=O)(=O)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylsulfonyl)cycloheptan-1-amine?
The InChIKey is AQZRCJCATMXSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c13-11-4-2-1-3-5-12(11)17(14,15)10-6-8-16-9-7-10/h10-12H,1-9,13H2.
What are the key properties of 2-(oxan-4-ylsulfonyl)cycloheptan-1-amine?
2-(oxan-4-ylsulfonyl)cycloheptan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylsulfonyl)cycloheptan-1-amine is sourced from PubChem (CID 64675294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).