3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide

C16H27NO4S — CID 86994411

IUPAC3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C16H27NO4S/c18-16(8-10-22(19,20)15-3-1-2-4-15)17(14-5-6-14)11-13-7-9-21-12-13/h13-15H,1-12H2
InChIKeyUITAQSXPHBJBSF-UHFFFAOYSA-N
MW329.46 g/mol
LogP1.76
Rot. Bonds7

About 3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide

3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 86994411) has the molecular formula C16H27NO4S and a molecular weight of 329.46 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide
PubChem CID86994411
Molecular FormulaC16H27NO4S
Molecular Weight329.46 g/mol
Exact Mass329.17
IUPAC Name3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C16H27NO4S/c18-16(8-10-22(19,20)15-3-1-2-4-15)17(14-5-6-14)11-13-7-9-21-12-13/h13-15H,1-12H2
InChIKeyUITAQSXPHBJBSF-UHFFFAOYSA-N
XLogP1.76
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid
CID 54876447
N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(oxolan-3-ylmethyl)acetamide
CID 112604701
2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide
CID 104677867
5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62963883
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97028885
1-cyclopropyl-3-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71940583
4-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-2-oxoethyl]benzoic acid
CID 129469912
3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119715175
N-cyclopropyl-N-(oxolan-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119284851
1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 115452951
(2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82963767
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 91915335

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide (CID 86994411) is 3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide is O=C(CCS(=O)(=O)C1CCCC1)N(CC1CCOC1)C1CC1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is UITAQSXPHBJBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4S/c18-16(8-10-22(19,20)15-3-1-2-4-15)17(14-5-6-14)11-13-7-9-21-12-13/h13-15H,1-12H2.
What are the key properties of 3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide?
3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 329.46 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 86994411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).