N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide

C9H18N4O2S — CID 115607773

IUPACN-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCNCc1ccn[nH]1
InChIInChI=1S/C9H18N4O2S/c1-2-16(14,15)12-6-3-5-10-8-9-4-7-11-13-9/h4,7,10,12H,2-3,5-6,8H2,1H3,(H,11,13)
InChIKeyKFZOOSLQPVPPNE-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.17
Rot. Bonds8

About N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide

N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide (PubChem CID 115607773) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide
PubChem CID115607773
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCNCc1ccn[nH]1
InChIInChI=1S/C9H18N4O2S/c1-2-16(14,15)12-6-3-5-10-8-9-4-7-11-13-9/h4,7,10,12H,2-3,5-6,8H2,1H3,(H,11,13)
InChIKeyKFZOOSLQPVPPNE-UHFFFAOYSA-N
XLogP-0.17
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.17
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

N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide
CID 43662504
2-tert-butylsulfonyl-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 115625744
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
N-[3-(1H-imidazol-2-ylmethylamino)propyl]ethanesulfonamide
CID 119111794
ethyl 4-(1H-pyrazol-5-ylmethylamino)butanoate
CID 64578531
2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide
CID 107651745
3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 43662494
3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 43662417
3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 43662482
ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate
CID 61457429
3-phenoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 55068927
N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide
CID 115598596

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide?
The IUPAC name of N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide (CID 115607773) is N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide?
The canonical SMILES for N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide is CCS(=O)(=O)NCCCNCc1ccn[nH]1.
What is the InChIKey of N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide?
The InChIKey is KFZOOSLQPVPPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-2-16(14,15)12-6-3-5-10-8-9-4-7-11-13-9/h4,7,10,12H,2-3,5-6,8H2,1H3,(H,11,13).
What are the key properties of N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide?
N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide is sourced from PubChem (CID 115607773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).