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

C10H18N4O2S2 — CID 114142517

IUPAC3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C10H18N4O2S2/c1-7-10(9(4-11)14-13-7)18(15,16)12-5-8-2-3-17-6-8/h8,12H,2-6,11H2,1H3,(H,13,14)
InChIKeyWKWSXCPBXIFSPY-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.21
Rot. Bonds5

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

3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 114142517) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID114142517
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C10H18N4O2S2/c1-7-10(9(4-11)14-13-7)18(15,16)12-5-8-2-3-17-6-8/h8,12H,2-6,11H2,1H3,(H,13,14)
InChIKeyWKWSXCPBXIFSPY-UHFFFAOYSA-N
XLogP0.21
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-(propylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106089228
3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106072257
4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106078610
N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106027270
3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106085721
3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106090808
5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089158
3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106018303
N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 107297786
3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide
CID 114135603
3-(aminomethyl)-N-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106035205
N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60972506

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 114142517) is 3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CN)c1S(=O)(=O)NCC1CCSC1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is WKWSXCPBXIFSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-7-10(9(4-11)14-13-7)18(15,16)12-5-8-2-3-17-6-8/h8,12H,2-6,11H2,1H3,(H,13,14).
What are the key properties of 3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114142517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).