1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine

C10H14ClNO2S — CID 62798147

IUPAC1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)s1)C1COCCO1
InChIInChI=1S/C10H14ClNO2S/c1-12-10(7-6-13-4-5-14-7)8-2-3-9(11)15-8/h2-3,7,10,12H,4-6H2,1H3
InChIKeyBUTPAMGJPPKFQH-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.08
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine

1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (PubChem CID 62798147) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
PubChem CID62798147
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)s1)C1COCCO1
InChIInChI=1S/C10H14ClNO2S/c1-12-10(7-6-13-4-5-14-7)8-2-3-9(11)15-8/h2-3,7,10,12H,4-6H2,1H3
InChIKeyBUTPAMGJPPKFQH-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (CID 62798147) is 1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is CNC(c1ccc(Cl)s1)C1COCCO1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The InChIKey is BUTPAMGJPPKFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-12-10(7-6-13-4-5-14-7)8-2-3-9(11)15-8/h2-3,7,10,12H,4-6H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine has a molecular weight of 247.75 g/mol, XLogP of 2.08, 3 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)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62798147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).