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

C12H23NOS — CID 64625761

IUPAC2-(oxan-4-ylsulfanyl)cycloheptan-1-amine
SMILESNC1CCCCCC1SC1CCOCC1
InChIInChI=1S/C12H23NOS/c13-11-4-2-1-3-5-12(11)15-10-6-8-14-9-7-10/h10-12H,1-9,13H2
InChIKeyBAUVZISMTKXOFG-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.56
Rot. Bonds2

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

2-(oxan-4-ylsulfanyl)cycloheptan-1-amine (PubChem CID 64625761) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 2-(oxan-4-ylsulfanyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(oxan-4-ylsulfanyl)cycloheptan-1-amine
PubChem CID64625761
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name2-(oxan-4-ylsulfanyl)cycloheptan-1-amine
SMILESNC1CCCCCC1SC1CCOCC1
InChIInChI=1S/C12H23NOS/c13-11-4-2-1-3-5-12(11)15-10-6-8-14-9-7-10/h10-12H,1-9,13H2
InChIKeyBAUVZISMTKXOFG-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(oxan-4-ylsulfanyl)ethyl]heptan-2-amine
CID 55141122
N-[2-(oxan-4-ylsulfanyl)ethyl]cycloheptanamine
CID 62991067
5-(Oxan-4-ylsulfanyl)pentan-1-amine
CID 62996664
4-(Oxan-4-ylsulfanyl)butan-1-amine
CID 62996820
4-(Oxan-4-ylsulfanyl)cyclohexan-1-amine
CID 62996948
3-(Oxan-4-ylsulfanyl)pentan-1-amine
CID 62996993
2-(2-Methoxyethylsulfanyl)cycloheptan-1-amine
CID 64612187
2-(Oxan-4-ylsulfanyl)cyclopentan-1-amine
CID 64625762
2-(Oxan-4-ylsulfanyl)cyclododecan-1-amine
CID 64625769
2-(Oxan-4-ylsulfanyl)pentan-3-amine
CID 64625775
4-(Oxan-4-ylsulfanyl)butan-2-amine
CID 64625779
2-(3-Methoxypropylsulfanyl)cycloheptan-1-amine
CID 64625856

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylsulfanyl)cycloheptan-1-amine?
The IUPAC name of 2-(oxan-4-ylsulfanyl)cycloheptan-1-amine (CID 64625761) is 2-(oxan-4-ylsulfanyl)cycloheptan-1-amine.
What is the SMILES notation for 2-(oxan-4-ylsulfanyl)cycloheptan-1-amine?
The canonical SMILES for 2-(oxan-4-ylsulfanyl)cycloheptan-1-amine is NC1CCCCCC1SC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylsulfanyl)cycloheptan-1-amine?
The InChIKey is BAUVZISMTKXOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c13-11-4-2-1-3-5-12(11)15-10-6-8-14-9-7-10/h10-12H,1-9,13H2.
What are the key properties of 2-(oxan-4-ylsulfanyl)cycloheptan-1-amine?
2-(oxan-4-ylsulfanyl)cycloheptan-1-amine has a molecular weight of 229.39 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylsulfanyl)cycloheptan-1-amine is sourced from PubChem (CID 64625761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).