N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine

C14H28N2OS — CID 114238437

IUPACN-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine
SMILESCSC1CCCN(CCNC2CCOCC2)CC1
InChIInChI=1S/C14H28N2OS/c1-18-14-3-2-8-16(9-4-14)10-7-15-13-5-11-17-12-6-13/h13-15H,2-12H2,1H3
InChIKeyDLVAIAXZABHDGZ-UHFFFAOYSA-N
MW272.46 g/mol
LogP1.97
Rot. Bonds5

About N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine

N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine (PubChem CID 114238437) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine
PubChem CID114238437
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC NameN-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine
SMILESCSC1CCCN(CCNC2CCOCC2)CC1
InChIInChI=1S/C14H28N2OS/c1-18-14-3-2-8-16(9-4-14)10-7-15-13-5-11-17-12-6-13/h13-15H,2-12H2,1H3
InChIKeyDLVAIAXZABHDGZ-UHFFFAOYSA-N
XLogP1.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)oxan-4-amine
CID 43608501
N-(2-piperidin-1-ylethyl)oxepan-4-amine
CID 65081716
N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 102968342
N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine
CID 62987458
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine
CID 63100030
N-[2-(3-propoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 63098996
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-(3-morpholin-4-ylpropyl)oxan-4-amine
CID 18349139
N-[2-(azepan-1-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61240570
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]oxan-4-amine
CID 63620851

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine (CID 114238437) is N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine is CSC1CCCN(CCNC2CCOCC2)CC1.
What is the InChIKey of N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine?
The InChIKey is DLVAIAXZABHDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-18-14-3-2-8-16(9-4-14)10-7-15-13-5-11-17-12-6-13/h13-15H,2-12H2,1H3.
What are the key properties of N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine?
N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine has a molecular weight of 272.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 114238437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).