N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine

C15H22N4O2S — CID 71847517

IUPACN-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine
SMILESCCCN(C)S(=O)(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H22N4O2S/c1-4-10-17(2)22(20,21)18(3)12-14-11-16-19(13-14)15-8-6-5-7-9-15/h5-9,11,13H,4,10,12H2,1-3H3
InChIKeyHPPWSNMBCKJBTF-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.89
Rot. Bonds7

About N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine

N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine (PubChem CID 71847517) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine
PubChem CID71847517
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine
SMILESCCCN(C)S(=O)(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H22N4O2S/c1-4-10-17(2)22(20,21)18(3)12-14-11-16-19(13-14)15-8-6-5-7-9-15/h5-9,11,13H,4,10,12H2,1-3H3
InChIKeyHPPWSNMBCKJBTF-UHFFFAOYSA-N
XLogP1.89
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26541420
1-phenyl-4-propylpyrazole
CID 12902534
4-chloro-2-fluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495378
N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 61383755
(3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 35431927
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 25468393
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N,2,3-trimethyl-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495371
4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide
CID 20937294
1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 111105745
N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 31534899

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine?
The IUPAC name of N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine (CID 71847517) is N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine is CCCN(C)S(=O)(=O)N(C)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine?
The InChIKey is HPPWSNMBCKJBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-4-10-17(2)22(20,21)18(3)12-14-11-16-19(13-14)15-8-6-5-7-9-15/h5-9,11,13H,4,10,12H2,1-3H3.
What are the key properties of N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine?
N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine has a molecular weight of 322.43 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine is sourced from PubChem (CID 71847517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).