4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine

C14H29NO3S — CID 65332208

IUPAC4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)C1CCCOC1
InChIInChI=1S/C14H29NO3S/c1-3-9-15-14(13-7-5-10-18-12-13)8-6-11-19(16,17)4-2/h13-15H,3-12H2,1-2H3
InChIKeyWXHSNWPNBAVJNC-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.00
Rot. Bonds9

About 4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine

4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine (PubChem CID 65332208) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
PubChem CID65332208
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)C1CCCOC1
InChIInChI=1S/C14H29NO3S/c1-3-9-15-14(13-7-5-10-18-12-13)8-6-11-19(16,17)4-2/h13-15H,3-12H2,1-2H3
InChIKeyWXHSNWPNBAVJNC-UHFFFAOYSA-N
XLogP2.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine (CID 65332208) is 4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine is CCCNC(CCCS(=O)(=O)CC)C1CCCOC1.
What is the InChIKey of 4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine?
The InChIKey is WXHSNWPNBAVJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-3-9-15-14(13-7-5-10-18-12-13)8-6-11-19(16,17)4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine?
4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 65332208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).