N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine

C11H22N4O2S — CID 105003193

IUPACN-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1ncnc1CC(NC)C(C)S(C)(=O)=O
InChIInChI=1S/C11H22N4O2S/c1-5-6-15-11(13-8-14-15)7-10(12-3)9(2)18(4,16)17/h8-10,12H,5-7H2,1-4H3
InChIKeyJKPNWHNURJOELD-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.25
Rot. Bonds7

About N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine

N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 105003193) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID105003193
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1ncnc1CC(NC)C(C)S(C)(=O)=O
InChIInChI=1S/C11H22N4O2S/c1-5-6-15-11(13-8-14-15)7-10(12-3)9(2)18(4,16)17/h8-10,12H,5-7H2,1-4H3
InChIKeyJKPNWHNURJOELD-UHFFFAOYSA-N
XLogP0.25
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 104997856
N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 105003061
[3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105316531
1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 116723474
3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79616250
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine
CID 104999897
2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81017156
1-cyclooctyl-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 80604052
1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 115816575
3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 115816529
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-methylsulfonylbutan-2-ol
CID 115814294
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-methylsulfonylbutan-2-amine
CID 105000061

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (CID 105003193) is N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is CCCn1ncnc1CC(NC)C(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is JKPNWHNURJOELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-5-6-15-11(13-8-14-15)7-10(12-3)9(2)18(4,16)17/h8-10,12H,5-7H2,1-4H3.
What are the key properties of N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 274.39 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is sourced from PubChem (CID 105003193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).