N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine

C11H16ClNOS2 — CID 107360001

IUPACN-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Cl)C1CSCCO1
InChIInChI=1S/C11H16ClNOS2/c1-2-13-10(9-7-15-6-4-14-9)11-8(12)3-5-16-11/h3,5,9-10,13H,2,4,6-7H2,1H3
InChIKeyHBAAKTAZPDJWJU-UHFFFAOYSA-N
MW277.84 g/mol
LogP3.18
Rot. Bonds4

About N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine

N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine (PubChem CID 107360001) has the molecular formula C11H16ClNOS2 and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine
PubChem CID107360001
Molecular FormulaC11H16ClNOS2
Molecular Weight277.84 g/mol
Exact Mass277.04
IUPAC NameN-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Cl)C1CSCCO1
InChIInChI=1S/C11H16ClNOS2/c1-2-13-10(9-7-15-6-4-14-9)11-8(12)3-5-16-11/h3,5,9-10,13H,2,4,6-7H2,1H3
InChIKeyHBAAKTAZPDJWJU-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 80529262
N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine
CID 102651946
N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine
CID 107360038
N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 79962439
N-[(4-cyclobutylphenyl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 116506328
2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963248
2-[4-chloro-5-[ethylamino(1,4-oxathian-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658118
N-[(3-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methyl]ethanamine
CID 80529022
N-[(2,5-dimethoxyphenyl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 79963651
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 107884975
N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 107361656
N-[1,4-oxathian-2-yl(quinolin-3-yl)methyl]ethanamine
CID 79963246

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine (CID 107360001) is N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine is CCNC(c1sccc1Cl)C1CSCCO1.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine?
The InChIKey is HBAAKTAZPDJWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS2/c1-2-13-10(9-7-15-6-4-14-9)11-8(12)3-5-16-11/h3,5,9-10,13H,2,4,6-7H2,1H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine has a molecular weight of 277.84 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine is sourced from PubChem (CID 107360001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).