3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine

C19H33NO3S — CID 57210569

IUPAC3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine
SMILESCCCc1occc1S(=O)(=O)C(CCN(C)C)C1CCCCCC1
InChIInChI=1S/C19H33NO3S/c1-4-9-17-19(13-15-23-17)24(21,22)18(12-14-20(2)3)16-10-7-5-6-8-11-16/h13,15-16,18H,4-12,14H2,1-3H3
InChIKeyZRJFTHKALHNPDQ-UHFFFAOYSA-N
MW355.54 g/mol
LogP4.30
Rot. Bonds8

About 3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine

3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine (PubChem CID 57210569) has the molecular formula C19H33NO3S and a molecular weight of 355.54 g/mol. Its IUPAC name is 3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine
PubChem CID57210569
Molecular FormulaC19H33NO3S
Molecular Weight355.54 g/mol
Exact Mass355.22
IUPAC Name3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine
SMILESCCCc1occc1S(=O)(=O)C(CCN(C)C)C1CCCCCC1
InChIInChI=1S/C19H33NO3S/c1-4-9-17-19(13-15-23-17)24(21,22)18(12-14-20(2)3)16-10-7-5-6-8-11-16/h13,15-16,18H,4-12,14H2,1-3H3
InChIKeyZRJFTHKALHNPDQ-UHFFFAOYSA-N
XLogP4.30
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.54
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine?
The IUPAC name of 3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine (CID 57210569) is 3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine.
What is the SMILES notation for 3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine?
The canonical SMILES for 3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine is CCCc1occc1S(=O)(=O)C(CCN(C)C)C1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine?
The InChIKey is ZRJFTHKALHNPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3S/c1-4-9-17-19(13-15-23-17)24(21,22)18(12-14-20(2)3)16-10-7-5-6-8-11-16/h13,15-16,18H,4-12,14H2,1-3H3.
What are the key properties of 3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine?
3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine has a molecular weight of 355.54 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-N,N-dimethyl-3-(2-propylfuran-3-yl)sulfonylpropan-1-amine is sourced from PubChem (CID 57210569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).