N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine

C15H22N2OS — CID 62430463

IUPACN-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine
SMILESO=S1CCN(C(CNC2CC2)c2ccccc2)CC1
InChIInChI=1S/C15H22N2OS/c18-19-10-8-17(9-11-19)15(12-16-14-6-7-14)13-4-2-1-3-5-13/h1-5,14-16H,6-12H2
InChIKeyWXRNGOYROGGYNI-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.54
Rot. Bonds5

About N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine

N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine (PubChem CID 62430463) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine
PubChem CID62430463
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine
SMILESO=S1CCN(C(CNC2CC2)c2ccccc2)CC1
InChIInChI=1S/C15H22N2OS/c18-19-10-8-17(9-11-19)15(12-16-14-6-7-14)13-4-2-1-3-5-13/h1-5,14-16H,6-12H2
InChIKeyWXRNGOYROGGYNI-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine
CID 62413117
N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine
CID 63626845
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine
CID 115562211
N-[2-(azepan-1-yl)-2-phenylethyl]-1-methylsulfonylpiperidin-4-amine
CID 56708957
N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine
CID 62430618
N-[2-(3-methylmorpholin-4-yl)-2-phenylethyl]cyclopropanamine
CID 55074560
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone
CID 157016143
1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892520
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide
CID 75765827
1-(cyclopropylamino)-3-phenylbutan-2-ol
CID 62773740
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine?
The IUPAC name of N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine (CID 62430463) is N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine?
The canonical SMILES for N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine is O=S1CCN(C(CNC2CC2)c2ccccc2)CC1.
What is the InChIKey of N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine?
The InChIKey is WXRNGOYROGGYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c18-19-10-8-17(9-11-19)15(12-16-14-6-7-14)13-4-2-1-3-5-13/h1-5,14-16H,6-12H2.
What are the key properties of N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine?
N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine has a molecular weight of 278.42 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine is sourced from PubChem (CID 62430463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).