1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea

C14H25N3O3S — CID 91625022

IUPAC1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea
SMILESCS(=O)(=O)N1C2CCC1CC(NC(=O)NC1CCCC1)C2
InChIInChI=1S/C14H25N3O3S/c1-21(19,20)17-12-6-7-13(17)9-11(8-12)16-14(18)15-10-4-2-3-5-10/h10-13H,2-9H2,1H3,(H2,15,16,18)
InChIKeyRWIXVHOVVDBHEW-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.18
Rot. Bonds3

About 1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea

1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea (PubChem CID 91625022) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea
PubChem CID91625022
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea
SMILESCS(=O)(=O)N1C2CCC1CC(NC(=O)NC1CCCC1)C2
InChIInChI=1S/C14H25N3O3S/c1-21(19,20)17-12-6-7-13(17)9-11(8-12)16-14(18)15-10-4-2-3-5-10/h10-13H,2-9H2,1H3,(H2,15,16,18)
InChIKeyRWIXVHOVVDBHEW-UHFFFAOYSA-N
XLogP1.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea (CID 91625022) is 1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea is CS(=O)(=O)N1C2CCC1CC(NC(=O)NC1CCCC1)C2.
What is the InChIKey of 1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea?
The InChIKey is RWIXVHOVVDBHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-21(19,20)17-12-6-7-13(17)9-11(8-12)16-14(18)15-10-4-2-3-5-10/h10-13H,2-9H2,1H3,(H2,15,16,18).
What are the key properties of 1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea?
1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea has a molecular weight of 315.44 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)urea is sourced from PubChem (CID 91625022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).