N-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine

C10H19NOS — CID 79333343

IUPACN-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine
SMILESCNC1CCCC(SC2COC2)C1
InChIInChI=1S/C10H19NOS/c1-11-8-3-2-4-9(5-8)13-10-6-12-7-10/h8-11H,2-7H2,1H3
InChIKeyBOFONYPHGFIUPN-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.65
Rot. Bonds3

About N-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine

N-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine (PubChem CID 79333343) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine
PubChem CID79333343
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine
SMILESCNC1CCCC(SC2COC2)C1
InChIInChI=1S/C10H19NOS/c1-11-8-3-2-4-9(5-8)13-10-6-12-7-10/h8-11H,2-7H2,1H3
InChIKeyBOFONYPHGFIUPN-UHFFFAOYSA-N
XLogP1.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine (CID 79333343) is N-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine is CNC1CCCC(SC2COC2)C1.
What is the InChIKey of N-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is BOFONYPHGFIUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-11-8-3-2-4-9(5-8)13-10-6-12-7-10/h8-11H,2-7H2,1H3.
What are the key properties of N-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine?
N-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 201.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxetan-3-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 79333343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).