1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine

C15H21NO3S — CID 114519704

IUPAC1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC2CC2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H21NO3S/c1-16-15(12-8-9-20(17,18)10-12)11-2-4-13(5-3-11)19-14-6-7-14/h2-5,12,14-16H,6-10H2,1H3
InChIKeyYNQQQZFHHJZFRC-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.92
Rot. Bonds5

About 1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine

1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine (PubChem CID 114519704) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
PubChem CID114519704
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC2CC2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H21NO3S/c1-16-15(12-8-9-20(17,18)10-12)11-2-4-13(5-3-11)19-14-6-7-14/h2-5,12,14-16H,6-10H2,1H3
InChIKeyYNQQQZFHHJZFRC-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
CID 114938191
1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 115336729
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115336731
1-(1,1-dioxothiolan-3-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 113289751
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 107293620
1-(cyclopenten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 64904121
1-(1,1-dioxothiolan-3-yl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
CID 113461746
1-(2,5-dimethylfuran-3-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 64906824
1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105051346
(3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide
CID 7102407
1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine (CID 114519704) is 1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine is CNC(c1ccc(OC2CC2)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
The InChIKey is YNQQQZFHHJZFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-16-15(12-8-9-20(17,18)10-12)11-2-4-13(5-3-11)19-14-6-7-14/h2-5,12,14-16H,6-10H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine has a molecular weight of 295.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 114519704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).