2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide

C10H18N4O3S — CID 61248904

IUPAC2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C10H18N4O3S/c1-7(2)10(15)11-4-5-13-18(16,17)9-6-12-14-8(9)3/h6-7,13H,4-5H2,1-3H3,(H,11,15)(H,12,14)
InChIKeyBMMLKALLEMIJBU-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.23
Rot. Bonds6

About 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide

2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide (PubChem CID 61248904) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
PubChem CID61248904
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C10H18N4O3S/c1-7(2)10(15)11-4-5-13-18(16,17)9-6-12-14-8(9)3/h6-7,13H,4-5H2,1-3H3,(H,11,15)(H,12,14)
InChIKeyBMMLKALLEMIJBU-UHFFFAOYSA-N
XLogP-0.23
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107271218
5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 104600711
N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940
5-methyl-N-[3-(propan-2-ylamino)propyl]-1H-pyrazole-4-sulfonamide
CID 54930150
(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 104936012
methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate
CID 61274855
3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 81067072
N,4-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]pentanamide
CID 61274278
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 79246508
N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114298151
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 115427439

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide (CID 61248904) is 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide is Cc1[nH]ncc1S(=O)(=O)NCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide?
The InChIKey is BMMLKALLEMIJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-7(2)10(15)11-4-5-13-18(16,17)9-6-12-14-8(9)3/h6-7,13H,4-5H2,1-3H3,(H,11,15)(H,12,14).
What are the key properties of 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide?
2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide has a molecular weight of 274.35 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide is sourced from PubChem (CID 61248904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).