N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide

C19H26N2O4S — CID 99928671

IUPACN-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C([C@H]1CCOC1)N1CCC(N(C2CC2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H26N2O4S/c22-19(15-10-13-25-14-15)20-11-8-17(9-12-20)21(16-6-7-16)26(23,24)18-4-2-1-3-5-18/h1-5,15-17H,6-14H2/t15-/m0/s1
InChIKeyYGGDZTZMQVAXSW-HNNXBMFYSA-N
MW378.49 g/mol
LogP1.87
Rot. Bonds5

About N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide

N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 99928671) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide
PubChem CID99928671
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C([C@H]1CCOC1)N1CCC(N(C2CC2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H26N2O4S/c22-19(15-10-13-25-14-15)20-11-8-17(9-12-20)21(16-6-7-16)26(23,24)18-4-2-1-3-5-18/h1-5,15-17H,6-14H2/t15-/m0/s1
InChIKeyYGGDZTZMQVAXSW-HNNXBMFYSA-N
XLogP1.87
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide (CID 99928671) is N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide is O=C([C@H]1CCOC1)N1CCC(N(C2CC2)S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is YGGDZTZMQVAXSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c22-19(15-10-13-25-14-15)20-11-8-17(9-12-20)21(16-6-7-16)26(23,24)18-4-2-1-3-5-18/h1-5,15-17H,6-14H2/t15-/m0/s1.
What are the key properties of N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide?
N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 378.49 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 99928671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).