1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea

C15H31N3O4S — CID 71931720

IUPAC1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea
SMILESCCC(CC)C(O)CNC(=O)NC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C15H31N3O4S/c1-4-12(5-2)14(19)11-16-15(20)17-13-7-9-18(10-8-13)23(21,22)6-3/h12-14,19H,4-11H2,1-3H3,(H2,16,17,20)
InChIKeyCWDIWMHHIDZHHK-UHFFFAOYSA-N
MW349.50 g/mol
LogP0.90
Rot. Bonds8

About 1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea

1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea (PubChem CID 71931720) has the molecular formula C15H31N3O4S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea
PubChem CID71931720
Molecular FormulaC15H31N3O4S
Molecular Weight349.50 g/mol
Exact Mass349.20
IUPAC Name1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea
SMILESCCC(CC)C(O)CNC(=O)NC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C15H31N3O4S/c1-4-12(5-2)14(19)11-16-15(20)17-13-7-9-18(10-8-13)23(21,22)6-3/h12-14,19H,4-11H2,1-3H3,(H2,16,17,20)
InChIKeyCWDIWMHHIDZHHK-UHFFFAOYSA-N
XLogP0.90
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 36976502
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222
1-(2,2-dimethylpropyl)-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 110823075
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide
CID 61274117
1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 47032176
2-bromo-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylbutanamide
CID 61251555
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
1-(1-methylsulfonylpiperidin-4-yl)-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
CID 95133776
2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride
CID 119702884
1-(1-ethylsulfonylpiperidin-4-yl)-3-(4-phenylbutyl)urea
CID 36520658
2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 61274504
2-bromo-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 62854305

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea (CID 71931720) is 1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea is CCC(CC)C(O)CNC(=O)NC1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea?
The InChIKey is CWDIWMHHIDZHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O4S/c1-4-12(5-2)14(19)11-16-15(20)17-13-7-9-18(10-8-13)23(21,22)6-3/h12-14,19H,4-11H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea?
1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea has a molecular weight of 349.50 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-hydroxypentyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 71931720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).