1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea

C14H30N4O3S — CID 68821787

IUPAC1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea
SMILESCCCNC(=O)N(C1CCN(C(C)C)CC1)S(=O)(=O)CCN
InChIInChI=1S/C14H30N4O3S/c1-4-8-16-14(19)18(22(20,21)11-7-15)13-5-9-17(10-6-13)12(2)3/h12-13H,4-11,15H2,1-3H3,(H,16,19)
InChIKeyHFUYCMGWFOLSMI-UHFFFAOYSA-N
MW334.49 g/mol
LogP0.57
Rot. Bonds7

About 1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea

1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea (PubChem CID 68821787) has the molecular formula C14H30N4O3S and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea.

Molecular Properties

Compound Name1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea
PubChem CID68821787
Molecular FormulaC14H30N4O3S
Molecular Weight334.49 g/mol
Exact Mass334.20
IUPAC Name1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea
SMILESCCCNC(=O)N(C1CCN(C(C)C)CC1)S(=O)(=O)CCN
InChIInChI=1S/C14H30N4O3S/c1-4-8-16-14(19)18(22(20,21)11-7-15)13-5-9-17(10-6-13)12(2)3/h12-13H,4-11,15H2,1-3H3,(H,16,19)
InChIKeyHFUYCMGWFOLSMI-UHFFFAOYSA-N
XLogP0.57
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea?
The IUPAC name of 1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea (CID 68821787) is 1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea.
What is the SMILES notation for 1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea?
The canonical SMILES for 1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea is CCCNC(=O)N(C1CCN(C(C)C)CC1)S(=O)(=O)CCN.
What is the InChIKey of 1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea?
The InChIKey is HFUYCMGWFOLSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O3S/c1-4-8-16-14(19)18(22(20,21)11-7-15)13-5-9-17(10-6-13)12(2)3/h12-13H,4-11,15H2,1-3H3,(H,16,19).
What are the key properties of 1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea?
1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea has a molecular weight of 334.49 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea is sourced from PubChem (CID 68821787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).