N-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide

C15H22N4O3S2 — CID 99821322

IUPACN-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide
SMILESC[C@@H](CN(C)S(=O)(=O)c1cnn(C2CCOCC2)c1)c1nccs1
InChIInChI=1S/C15H22N4O3S2/c1-12(15-16-5-8-23-15)10-18(2)24(20,21)14-9-17-19(11-14)13-3-6-22-7-4-13/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3/t12-/m0/s1
InChIKeyYAGVEZKQHGMBJH-LBPRGKRZSA-N
MW370.50 g/mol
LogP2.12
Rot. Bonds6

About N-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide

N-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide (PubChem CID 99821322) has the molecular formula C15H22N4O3S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide
PubChem CID99821322
Molecular FormulaC15H22N4O3S2
Molecular Weight370.50 g/mol
Exact Mass370.11
IUPAC NameN-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide
SMILESC[C@@H](CN(C)S(=O)(=O)c1cnn(C2CCOCC2)c1)c1nccs1
InChIInChI=1S/C15H22N4O3S2/c1-12(15-16-5-8-23-15)10-18(2)24(20,21)14-9-17-19(11-14)13-3-6-22-7-4-13/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3/t12-/m0/s1
InChIKeyYAGVEZKQHGMBJH-LBPRGKRZSA-N
XLogP2.12
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide?
The IUPAC name of N-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide (CID 99821322) is N-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide is C[C@@H](CN(C)S(=O)(=O)c1cnn(C2CCOCC2)c1)c1nccs1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide?
The InChIKey is YAGVEZKQHGMBJH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O3S2/c1-12(15-16-5-8-23-15)10-18(2)24(20,21)14-9-17-19(11-14)13-3-6-22-7-4-13/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3/t12-/m0/s1.
What are the key properties of N-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide?
N-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide has a molecular weight of 370.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 99821322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).