N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide

C7H14N4O2S — CID 43662504

IUPACN-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccn[nH]1
InChIInChI=1S/C7H14N4O2S/c1-14(12,13)10-5-4-8-6-7-2-3-9-11-7/h2-3,8,10H,4-6H2,1H3,(H,9,11)
InChIKeyHJODEXUEPTVDCK-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.95
Rot. Bonds6

About N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide

N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide (PubChem CID 43662504) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide
PubChem CID43662504
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC NameN-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccn[nH]1
InChIInChI=1S/C7H14N4O2S/c1-14(12,13)10-5-4-8-6-7-2-3-9-11-7/h2-3,8,10H,4-6H2,1H3,(H,9,11)
InChIKeyHJODEXUEPTVDCK-UHFFFAOYSA-N
XLogP-0.95
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.95
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-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide
CID 115607773
2-tert-butylsulfonyl-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 115625744
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61285702
2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide
CID 107651745
2-methyl-N-(1H-pyrazol-5-ylmethyl)prop-2-en-1-amine
CID 114615875
3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 43662494
4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine
CID 119110486
ethyl 4-(1H-pyrazol-5-ylmethylamino)butanoate
CID 64578531
3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110731916
N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
CID 63314803
3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 43662417

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide (CID 43662504) is N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNCc1ccn[nH]1.
What is the InChIKey of N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide?
The InChIKey is HJODEXUEPTVDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-14(12,13)10-5-4-8-6-7-2-3-9-11-7/h2-3,8,10H,4-6H2,1H3,(H,9,11).
What are the key properties of N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide?
N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 43662504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).