3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine

C20H29NO3S — CID 19865618

IUPAC3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCCCCc1ccc(S(=O)C(CCN(C)C)c2ccccc2OC)o1
InChIInChI=1S/C20H29NO3S/c1-5-6-9-16-12-13-20(24-16)25(22)19(14-15-21(2)3)17-10-7-8-11-18(17)23-4/h7-8,10-13,19H,5-6,9,14-15H2,1-4H3
InChIKeyPOHFCQNBTXPHKD-UHFFFAOYSA-N
MW363.52 g/mol
LogP4.43
Rot. Bonds10

About 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine

3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 19865618) has the molecular formula C20H29NO3S and a molecular weight of 363.52 g/mol. Its IUPAC name is 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine
PubChem CID19865618
Molecular FormulaC20H29NO3S
Molecular Weight363.52 g/mol
Exact Mass363.19
IUPAC Name3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCCCCc1ccc(S(=O)C(CCN(C)C)c2ccccc2OC)o1
InChIInChI=1S/C20H29NO3S/c1-5-6-9-16-12-13-20(24-16)25(22)19(14-15-21(2)3)17-10-7-8-11-18(17)23-4/h7-8,10-13,19H,5-6,9,14-15H2,1-4H3
InChIKeyPOHFCQNBTXPHKD-UHFFFAOYSA-N
XLogP4.43
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.52
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine (CID 19865618) is 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine is CCCCc1ccc(S(=O)C(CCN(C)C)c2ccccc2OC)o1.
What is the InChIKey of 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is POHFCQNBTXPHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3S/c1-5-6-9-16-12-13-20(24-16)25(22)19(14-15-21(2)3)17-10-7-8-11-18(17)23-4/h7-8,10-13,19H,5-6,9,14-15H2,1-4H3.
What are the key properties of 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine?
3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 363.52 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 19865618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).