1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide

C10H20N4O2S — CID 114141939

IUPAC1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NCCCn1cccn1
InChIInChI=1S/C10H20N4O2S/c1-10(9-11-2)17(15,16)13-6-4-8-14-7-3-5-12-14/h3,5,7,10-11,13H,4,6,8-9H2,1-2H3
InChIKeyLGGFPSSBNBNUIA-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.20
Rot. Bonds8

About 1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide

1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide (PubChem CID 114141939) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide
PubChem CID114141939
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NCCCn1cccn1
InChIInChI=1S/C10H20N4O2S/c1-10(9-11-2)17(15,16)13-6-4-8-14-7-3-5-12-14/h3,5,7,10-11,13H,4,6,8-9H2,1-2H3
InChIKeyLGGFPSSBNBNUIA-UHFFFAOYSA-N
XLogP-0.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.20
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-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide
CID 112686403
(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 106932499
3-(methylaminomethyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 106077063
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
CID 113223084
4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 22207459
3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine
CID 115708657
N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708660
N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708568
N-(3-pyrazol-1-ylpropyl)octan-2-amine
CID 112700088

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide?
The IUPAC name of 1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide (CID 114141939) is 1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide?
The canonical SMILES for 1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide is CNCC(C)S(=O)(=O)NCCCn1cccn1.
What is the InChIKey of 1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide?
The InChIKey is LGGFPSSBNBNUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-10(9-11-2)17(15,16)13-6-4-8-14-7-3-5-12-14/h3,5,7,10-11,13H,4,6,8-9H2,1-2H3.
What are the key properties of 1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide?
1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of -0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide is sourced from PubChem (CID 114141939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).