3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide

C12H23N5O3S — CID 106085721

IUPAC3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2c(CN)n[nH]c2C)C1
InChIInChI=1S/C12H23N5O3S/c1-3-17-4-5-20-10(8-17)7-14-21(18,19)12-9(2)15-16-11(12)6-13/h10,14H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyGSUJHVRXPXGTGN-UHFFFAOYSA-N
MW317.42 g/mol
LogP-0.82
Rot. Bonds6

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

3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 106085721) has the molecular formula C12H23N5O3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID106085721
Molecular FormulaC12H23N5O3S
Molecular Weight317.42 g/mol
Exact Mass317.15
IUPAC Name3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2c(CN)n[nH]c2C)C1
InChIInChI=1S/C12H23N5O3S/c1-3-17-4-5-20-10(8-17)7-14-21(18,19)12-9(2)15-16-11(12)6-13/h10,14H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyGSUJHVRXPXGTGN-UHFFFAOYSA-N
XLogP-0.82
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731
N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 115631010
3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 114142517
N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114401040
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 114399151
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 115690361
N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 114401039
N-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
CID 114400447
3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 132971383
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide
CID 114399093
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide
CID 115630805
3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide
CID 106218688

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 106085721) is 3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide is CCN1CCOC(CNS(=O)(=O)c2c(CN)n[nH]c2C)C1.
What is the InChIKey of 3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is GSUJHVRXPXGTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3S/c1-3-17-4-5-20-10(8-17)7-14-21(18,19)12-9(2)15-16-11(12)6-13/h10,14H,3-8,13H2,1-2H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 317.42 g/mol, XLogP of -0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106085721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).