3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide

C13H24N4O3S — CID 138024589

IUPAC3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCC(C)C(NC(=O)CCS(=O)(=O)N(C)C)c1cnn(C)c1
InChIInChI=1S/C13H24N4O3S/c1-10(2)13(11-8-14-17(5)9-11)15-12(18)6-7-21(19,20)16(3)4/h8-10,13H,6-7H2,1-5H3,(H,15,18)
InChIKeyXMNLAMQVFNNOPP-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.51
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide

3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide (PubChem CID 138024589) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide
PubChem CID138024589
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCC(C)C(NC(=O)CCS(=O)(=O)N(C)C)c1cnn(C)c1
InChIInChI=1S/C13H24N4O3S/c1-10(2)13(11-8-14-17(5)9-11)15-12(18)6-7-21(19,20)16(3)4/h8-10,13H,6-7H2,1-5H3,(H,15,18)
InChIKeyXMNLAMQVFNNOPP-UHFFFAOYSA-N
XLogP0.51
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-2-methyl-1-phenylpropyl]urea
CID 95771368
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 95771367
1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
CID 138027918
2-(1-methylpyrazol-4-yl)-2-(3,4,4-trimethylpentanoylamino)acetic acid
CID 115288194
3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
CID 75514559
N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 124567895
1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 30302557
3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 45147216
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea
CID 136563591
1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
CID 164636891
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide (CID 138024589) is 3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide is CC(C)C(NC(=O)CCS(=O)(=O)N(C)C)c1cnn(C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide?
The InChIKey is XMNLAMQVFNNOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-10(2)13(11-8-14-17(5)9-11)15-12(18)6-7-21(19,20)16(3)4/h8-10,13H,6-7H2,1-5H3,(H,15,18).
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide?
3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide has a molecular weight of 316.43 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 138024589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).