1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide

C14H22N4O3S — CID 125423661

IUPAC1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
SMILESC[C@@H]1C[C@H]1C(=O)N1CC(CS(=O)(=O)NCc2cnn(C)c2)C1
InChIInChI=1S/C14H22N4O3S/c1-10-3-13(10)14(19)18-7-12(8-18)9-22(20,21)16-5-11-4-15-17(2)6-11/h4,6,10,12-13,16H,3,5,7-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyNQCPVNSKHWRPHC-ZWNOBZJWSA-N
MW326.42 g/mol
LogP-0.05
Rot. Bonds6

About 1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide

1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide (PubChem CID 125423661) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
PubChem CID125423661
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
SMILESC[C@@H]1C[C@H]1C(=O)N1CC(CS(=O)(=O)NCc2cnn(C)c2)C1
InChIInChI=1S/C14H22N4O3S/c1-10-3-13(10)14(19)18-7-12(8-18)9-22(20,21)16-5-11-4-15-17(2)6-11/h4,6,10,12-13,16H,3,5,7-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyNQCPVNSKHWRPHC-ZWNOBZJWSA-N
XLogP-0.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]methanesulfonamide
CID 125423678
1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 125422114
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 63665817
N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(oxane-4-carbonyl)morpholin-2-yl]methanesulfonamide
CID 126822098
2-[(1-methylpyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 61457890
N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 47373259
2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617071
1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 56787526
4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 103004815
[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 97075513
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 130171522
N-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106018241

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide (CID 125423661) is 1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide is C[C@@H]1C[C@H]1C(=O)N1CC(CS(=O)(=O)NCc2cnn(C)c2)C1.
What is the InChIKey of 1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
The InChIKey is NQCPVNSKHWRPHC-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-10-3-13(10)14(19)18-7-12(8-18)9-22(20,21)16-5-11-4-15-17(2)6-11/h4,6,10,12-13,16H,3,5,7-9H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of 1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1R,2R)-2-methylcyclopropanecarbonyl]azetidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 125423661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).