4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide

C10H20N4O3S — CID 106068334

IUPAC4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCCC(COC)NS(=O)(=O)c1n[nH]c(C)c1CN
InChIInChI=1S/C10H20N4O3S/c1-4-8(6-17-3)14-18(15,16)10-9(5-11)7(2)12-13-10/h8,14H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyIHAXSNFTAMXEOJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.12
Rot. Bonds7

About 4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide

4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide (PubChem CID 106068334) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide
PubChem CID106068334
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC Name4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCCC(COC)NS(=O)(=O)c1n[nH]c(C)c1CN
InChIInChI=1S/C10H20N4O3S/c1-4-8(6-17-3)14-18(15,16)10-9(5-11)7(2)12-13-10/h8,14H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyIHAXSNFTAMXEOJ-UHFFFAOYSA-N
XLogP-0.12
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114142092
N-hexan-3-yl-5-methyl-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106055423
4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106053103
4-(aminomethyl)-N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106026981
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106055894
4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide
CID 107818690
4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
CID 106090791
4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106078610
3-hydrazinyl-N-(1-methoxybutan-2-yl)pyridine-2-sulfonamide
CID 103301625
N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 113346258
4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106085938
4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
CID 106018854

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide (CID 106068334) is 4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide is CCC(COC)NS(=O)(=O)c1n[nH]c(C)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide?
The InChIKey is IHAXSNFTAMXEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-4-8(6-17-3)14-18(15,16)10-9(5-11)7(2)12-13-10/h8,14H,4-6,11H2,1-3H3,(H,12,13).
What are the key properties of 4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of -0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106068334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).