N,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide

C8H14N4O3S — CID 47267649

IUPACN,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide
SMILESCN(C)C(=O)CCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H14N4O3S/c1-12(2)8(13)3-4-11-16(14,15)7-5-9-10-6-7/h5-6,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyPMQWSKVGMNQTQX-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.83
Rot. Bonds5

About N,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide

N,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide (PubChem CID 47267649) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is N,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide
PubChem CID47267649
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC NameN,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide
SMILESCN(C)C(=O)CCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H14N4O3S/c1-12(2)8(13)3-4-11-16(14,15)7-5-9-10-6-7/h5-6,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyPMQWSKVGMNQTQX-UHFFFAOYSA-N
XLogP-0.83
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 54594730
CID 54594730
CID 129889474
CID 129889474
CID 47268119
CID 47268119
CID 60958755
CID 60958755
CID 47267291
CID 47267291
CID 47267292
CID 47267292
CID 47267297
CID 47267297
CID 47267373
CID 47267373
CID 47267378
CID 47267378
CID 47267387
CID 47267387
CID 47267388
CID 47267388
CID 47267399
CID 47267399

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide?
The IUPAC name of N,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide (CID 47267649) is N,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide?
The canonical SMILES for N,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide is CN(C)C(=O)CCNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide?
The InChIKey is PMQWSKVGMNQTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-12(2)8(13)3-4-11-16(14,15)7-5-9-10-6-7/h5-6,11H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide?
N,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide has a molecular weight of 246.29 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide is sourced from PubChem (CID 47267649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).