N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide

C16H26N4O5S — CID 126822098

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide
SMILESCn1cc(CNS(=O)(=O)CC2CN(C(=O)C3CCOCC3)CCO2)cn1
InChIInChI=1S/C16H26N4O5S/c1-19-10-13(8-17-19)9-18-26(22,23)12-15-11-20(4-7-25-15)16(21)14-2-5-24-6-3-14/h8,10,14-15,18H,2-7,9,11-12H2,1H3
InChIKeyFOGUQDJATHHMNV-UHFFFAOYSA-N
MW386.47 g/mol
LogP-0.51
Rot. Bonds6

About N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide

N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide (PubChem CID 126822098) has the molecular formula C16H26N4O5S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide
PubChem CID126822098
Molecular FormulaC16H26N4O5S
Molecular Weight386.47 g/mol
Exact Mass386.16
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide
SMILESCn1cc(CNS(=O)(=O)CC2CN(C(=O)C3CCOCC3)CCO2)cn1
InChIInChI=1S/C16H26N4O5S/c1-19-10-13(8-17-19)9-18-26(22,23)12-15-11-20(4-7-25-15)16(21)14-2-5-24-6-3-14/h8,10,14-15,18H,2-7,9,11-12H2,1H3
InChIKeyFOGUQDJATHHMNV-UHFFFAOYSA-N
XLogP-0.51
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(oxane-4-carbonyl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 126822097
1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 125422114
1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 125423661
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301
[2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 45197657
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 63665817
1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide
CID 95307548
(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 95280201
(2S)-2-(3-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 52516717
1-[(2S)-2-ethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95977738
2-(1-methylpyrazol-4-yl)-7-(oxane-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131660715

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide (CID 126822098) is N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide is Cn1cc(CNS(=O)(=O)CC2CN(C(=O)C3CCOCC3)CCO2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide?
The InChIKey is FOGUQDJATHHMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O5S/c1-19-10-13(8-17-19)9-18-26(22,23)12-15-11-20(4-7-25-15)16(21)14-2-5-24-6-3-14/h8,10,14-15,18H,2-7,9,11-12H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide?
N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide has a molecular weight of 386.47 g/mol, XLogP of -0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide is sourced from PubChem (CID 126822098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).