1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine

C11H16ClNO2S — CID 103547063

IUPAC1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
SMILESCCNC(CC1OCCO1)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-2-13-8(7-11-14-5-6-15-11)9-3-4-10(12)16-9/h3-4,8,11,13H,2,5-7H2,1H3
InChIKeyHOJNSWYUPPXOHD-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.82
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine

1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine (PubChem CID 103547063) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
PubChem CID103547063
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
SMILESCCNC(CC1OCCO1)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-2-13-8(7-11-14-5-6-15-11)9-3-4-10(12)16-9/h3-4,8,11,13H,2,5-7H2,1H3
InChIKeyHOJNSWYUPPXOHD-UHFFFAOYSA-N
XLogP2.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-ethyl-3-methylidenepentan-1-amine
CID 105005837
2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 79988041
1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415518
1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43492048
1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine
CID 104987378
1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103546660
1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201788
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028730
1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43492060
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156624
N-[(5-chlorothiophen-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63012736
2-(1,3-dioxolan-2-yl)-N-ethyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103546701

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine (CID 103547063) is 1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine is CCNC(CC1OCCO1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine?
The InChIKey is HOJNSWYUPPXOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-2-13-8(7-11-14-5-6-15-11)9-3-4-10(12)16-9/h3-4,8,11,13H,2,5-7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine?
1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine has a molecular weight of 261.77 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine is sourced from PubChem (CID 103547063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).