N-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide

C13H24N2O4S — CID 47444045

IUPACN-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C13H24N2O4S/c1-2-9-20(17,18)14-12-3-6-15(7-4-12)13(16)11-5-8-19-10-11/h11-12,14H,2-10H2,1H3
InChIKeyNCBNGNNDESUGDH-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.34
Rot. Bonds5

About N-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide

N-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 47444045) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID47444045
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC NameN-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C13H24N2O4S/c1-2-9-20(17,18)14-12-3-6-15(7-4-12)13(16)11-5-8-19-10-11/h11-12,14H,2-10H2,1H3
InChIKeyNCBNGNNDESUGDH-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-[1-(2-fluoroethyl)piperidin-3-yl]sulfonyl-2-methyloxolane-3-carboxamide
CID 146077150
4-Methoxy-2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]butanamide
CID 68824372
N-[(3R,4S)-3-(methoxymethyl)-1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]methanesulfonamide
CID 174324749
(3R,4S)-4-(dimethylsulfamoylamino)-3-(methoxymethyl)-1-[(3R)-oxolane-3-carbonyl]piperidine
CID 174326084
N-[1-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47447641
N-(1-propylsulfonylpiperidin-4-yl)oxolane-3-carboxamide
CID 47447858
N-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide
CID 47447996
(4-Ethylsulfonylpiperazin-1-yl)-(oxolan-3-yl)methanone
CID 49618612
1-(Oxolane-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 61277514
1-(Oxolane-3-carbonyl)piperidine-3-sulfonamide
CID 61278318
N-(3-sulfamoylpropyl)oxolane-3-carboxamide
CID 61278731
N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide
CID 62474673

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide (CID 47444045) is N-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)C2CCOC2)CC1.
What is the InChIKey of N-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is NCBNGNNDESUGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-2-9-20(17,18)14-12-3-6-15(7-4-12)13(16)11-5-8-19-10-11/h11-12,14H,2-10H2,1H3.
What are the key properties of N-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide?
N-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 304.41 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolane-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 47444045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).