N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide

C10H20N4O2S — CID 114135430

IUPACN-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)Nc1ccn(C)n1
InChIInChI=1S/C10H20N4O2S/c1-4-6-11-8-9(2)17(15,16)13-10-5-7-14(3)12-10/h5,7,9,11H,4,6,8H2,1-3H3,(H,12,13)
InChIKeyWGEOIMYRCNAGSQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.55
Rot. Bonds7

About N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide

N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide (PubChem CID 114135430) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide
PubChem CID114135430
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)Nc1ccn(C)n1
InChIInChI=1S/C10H20N4O2S/c1-4-6-11-8-9(2)17(15,16)13-10-5-7-14(3)12-10/h5,7,9,11H,4,6,8H2,1-3H3,(H,12,13)
InChIKeyWGEOIMYRCNAGSQ-UHFFFAOYSA-N
XLogP0.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylpyrazol-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114135422
N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide
CID 107278431
N-(2,3-difluorophenyl)-1-(propylamino)propane-2-sulfonamide
CID 106017484
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
CID 106085796
1-methyl-3-(sulfamoylamino)pyrazole
CID 112573559
1-(propylamino)-N-(2,4,6-trifluorophenyl)propane-2-sulfonamide
CID 106069542
1-(propylamino)-N-(2,4,5-trifluorophenyl)propane-2-sulfonamide
CID 106056088
2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide
CID 112723457
N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide
CID 106056724
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
CID 82872100
N-[2-(difluoromethoxy)phenyl]-1-(propylamino)propane-2-sulfonamide
CID 106030472
N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106058883

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide (CID 114135430) is N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide is CCCNCC(C)S(=O)(=O)Nc1ccn(C)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide?
The InChIKey is WGEOIMYRCNAGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-4-6-11-8-9(2)17(15,16)13-10-5-7-14(3)12-10/h5,7,9,11H,4,6,8H2,1-3H3,(H,12,13).
What are the key properties of N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide?
N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide is sourced from PubChem (CID 114135430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).