4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide

C10H18N4O2S2 — CID 106089063

IUPAC4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C10H18N4O2S2/c1-11-5-9-6-12-14-10(9)18(15,16)13-4-8-2-3-17-7-8/h6,8,11,13H,2-5,7H2,1H3,(H,12,14)
InChIKeyCZEOQXMOUGOEAT-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.16
Rot. Bonds6

About 4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide

4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106089063) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106089063
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C10H18N4O2S2/c1-11-5-9-6-12-14-10(9)18(15,16)13-4-8-2-3-17-7-8/h6,8,11,13H,2-5,7H2,1H3,(H,12,14)
InChIKeyCZEOQXMOUGOEAT-UHFFFAOYSA-N
XLogP0.16
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
CID 106088314
4-[(cyclopropylamino)methyl]-N-(1,4-dithian-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106078345
4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089113
N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106027031
N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 107297786
4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106016006
5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 106089015
4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106086431
4-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106071704
N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106026928
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide (CID 106089063) is 4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)NCC1CCSC1.
What is the InChIKey of 4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is CZEOQXMOUGOEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-11-5-9-6-12-14-10(9)18(15,16)13-4-8-2-3-17-7-8/h6,8,11,13H,2-5,7H2,1H3,(H,12,14).
What are the key properties of 4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106089063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).