N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine

C11H22N4O2S — CID 105038466

IUPACN-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CS(C)(=O)=O)c1cnnn1CCC
InChIInChI=1S/C11H22N4O2S/c1-4-6-12-10(9-18(3,16)17)11-8-13-14-15(11)7-5-2/h8,10,12H,4-7,9H2,1-3H3
InChIKeyPMFPTBNVAYVWJA-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.77
Rot. Bonds8

About N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine

N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine (PubChem CID 105038466) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
PubChem CID105038466
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CS(C)(=O)=O)c1cnnn1CCC
InChIInChI=1S/C11H22N4O2S/c1-4-6-12-10(9-18(3,16)17)11-8-13-14-15(11)7-5-2/h8,10,12H,4-7,9H2,1-3H3
InChIKeyPMFPTBNVAYVWJA-UHFFFAOYSA-N
XLogP0.77
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038563
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114687494
N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 114687156
2-methyl-2-methylsulfonyl-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105043401
N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114689062
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493
N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114688709
2-methylsulfonyl-1-(3-propyltriazol-4-yl)propan-1-ol
CID 115834136
N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 115622276
N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114687085
N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687560

Frequently Asked Questions

What is the IUPAC name of N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine (CID 105038466) is N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine is CCCNC(CS(C)(=O)=O)c1cnnn1CCC.
What is the InChIKey of N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine?
The InChIKey is PMFPTBNVAYVWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-4-6-12-10(9-18(3,16)17)11-8-13-14-15(11)7-5-2/h8,10,12H,4-7,9H2,1-3H3.
What are the key properties of N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine?
N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine has a molecular weight of 274.39 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105038466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).