3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide

C15H27NO3S — CID 78883966

IUPAC3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(C(=O)CCS(=O)(=O)C1CCCC1)C1CC1
InChIInChI=1S/C15H27NO3S/c1-12(2)11-16(13-7-8-13)15(17)9-10-20(18,19)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3
InChIKeyWXQSQTQBBBNRJC-UHFFFAOYSA-N
MW301.45 g/mol
LogP2.38
Rot. Bonds7

About 3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide

3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide (PubChem CID 78883966) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide
PubChem CID78883966
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(C(=O)CCS(=O)(=O)C1CCCC1)C1CC1
InChIInChI=1S/C15H27NO3S/c1-12(2)11-16(13-7-8-13)15(17)9-10-20(18,19)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3
InChIKeyWXQSQTQBBBNRJC-UHFFFAOYSA-N
XLogP2.38
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide (CID 78883966) is 3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide is CC(C)CN(C(=O)CCS(=O)(=O)C1CCCC1)C1CC1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide?
The InChIKey is WXQSQTQBBBNRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-12(2)11-16(13-7-8-13)15(17)9-10-20(18,19)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide?
3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide has a molecular weight of 301.45 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-cyclopropyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 78883966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).