N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine

C11H17ClN2OS2 — CID 62554401

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
SMILESO=S1CCN(CCNCc2ccc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN2OS2/c12-11-2-1-10(16-11)9-13-3-4-14-5-7-17(15)8-6-14/h1-2,13H,3-9H2
InChIKeyHQSRQPFDADCLMT-UHFFFAOYSA-N
MW292.86 g/mol
LogP1.56
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine (PubChem CID 62554401) has the molecular formula C11H17ClN2OS2 and a molecular weight of 292.86 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
PubChem CID62554401
Molecular FormulaC11H17ClN2OS2
Molecular Weight292.86 g/mol
Exact Mass292.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
SMILESO=S1CCN(CCNCc2ccc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN2OS2/c12-11-2-1-10(16-11)9-13-3-4-14-5-7-17(15)8-6-14/h1-2,13H,3-9H2
InChIKeyHQSRQPFDADCLMT-UHFFFAOYSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.86
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654114
N-[(5-chlorothiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672980
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114540403
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 63620184
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63620344
1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide
CID 38064329
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 62575679
5-bromo-1-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]pyridin-2-one
CID 55087737
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103503388
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62560300
2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-one
CID 126837965

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine (CID 62554401) is N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine is O=S1CCN(CCNCc2ccc(Cl)s2)CC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine?
The InChIKey is HQSRQPFDADCLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS2/c12-11-2-1-10(16-11)9-13-3-4-14-5-7-17(15)8-6-14/h1-2,13H,3-9H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine has a molecular weight of 292.86 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine is sourced from PubChem (CID 62554401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).