1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol

C15H31NO3S — CID 79070255

IUPAC1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol
SMILESCCN(CC)C1(C(O)CCCS(=O)(=O)CC)CCCC1
InChIInChI=1S/C15H31NO3S/c1-4-16(5-2)15(11-7-8-12-15)14(17)10-9-13-20(18,19)6-3/h14,17H,4-13H2,1-3H3
InChIKeyNOGWDCCBRUFZAY-UHFFFAOYSA-N
MW305.48 g/mol
LogP2.22
Rot. Bonds9

About 1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol

1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol (PubChem CID 79070255) has the molecular formula C15H31NO3S and a molecular weight of 305.48 g/mol. Its IUPAC name is 1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol
PubChem CID79070255
Molecular FormulaC15H31NO3S
Molecular Weight305.48 g/mol
Exact Mass305.20
IUPAC Name1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol
SMILESCCN(CC)C1(C(O)CCCS(=O)(=O)CC)CCCC1
InChIInChI=1S/C15H31NO3S/c1-4-16(5-2)15(11-7-8-12-15)14(17)10-9-13-20(18,19)6-3/h14,17H,4-13H2,1-3H3
InChIKeyNOGWDCCBRUFZAY-UHFFFAOYSA-N
XLogP2.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol?
The IUPAC name of 1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol (CID 79070255) is 1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol.
What is the SMILES notation for 1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol?
The canonical SMILES for 1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol is CCN(CC)C1(C(O)CCCS(=O)(=O)CC)CCCC1.
What is the InChIKey of 1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol?
The InChIKey is NOGWDCCBRUFZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3S/c1-4-16(5-2)15(11-7-8-12-15)14(17)10-9-13-20(18,19)6-3/h14,17H,4-13H2,1-3H3.
What are the key properties of 1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol?
1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol has a molecular weight of 305.48 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol is sourced from PubChem (CID 79070255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).