1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide

C14H24N4O4S — CID 94025288

IUPAC1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cn1
InChIInChI=1S/C14H24N4O4S/c1-17-10-13(8-15-17)23(19,20)16-9-14(12-2-5-22-11-12)18-3-6-21-7-4-18/h8,10,12,14,16H,2-7,9,11H2,1H3/t12-,14-/m1/s1
InChIKeyNWFWUVUDSREEBV-TZMCWYRMSA-N
MW344.44 g/mol
LogP-0.56
Rot. Bonds6

About 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide

1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide (PubChem CID 94025288) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide
PubChem CID94025288
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cn1
InChIInChI=1S/C14H24N4O4S/c1-17-10-13(8-15-17)23(19,20)16-9-14(12-2-5-22-11-12)18-3-6-21-7-4-18/h8,10,12,14,16H,2-7,9,11H2,1H3/t12-,14-/m1/s1
InChIKeyNWFWUVUDSREEBV-TZMCWYRMSA-N
XLogP-0.56
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide (CID 94025288) is 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cn1.
What is the InChIKey of 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide?
The InChIKey is NWFWUVUDSREEBV-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-17-10-13(8-15-17)23(19,20)16-9-14(12-2-5-22-11-12)18-3-6-21-7-4-18/h8,10,12,14,16H,2-7,9,11H2,1H3/t12-,14-/m1/s1.
What are the key properties of 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide?
1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of -0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 94025288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).