2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine

C12H24N4O2S — CID 105038563

IUPAC2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C(C)S(C)(=O)=O
InChIInChI=1S/C12H24N4O2S/c1-5-7-13-12(10(3)19(4,17)18)11-9-14-15-16(11)8-6-2/h9-10,12-13H,5-8H2,1-4H3
InChIKeyFYVIYEVUXDPHDA-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.16
Rot. Bonds8

About 2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine

2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine (PubChem CID 105038563) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine
PubChem CID105038563
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C(C)S(C)(=O)=O
InChIInChI=1S/C12H24N4O2S/c1-5-7-13-12(10(3)19(4,17)18)11-9-14-15-16(11)8-6-2/h9-10,12-13H,5-8H2,1-4H3
InChIKeyFYVIYEVUXDPHDA-UHFFFAOYSA-N
XLogP1.16
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
2-methylsulfonyl-1-(3-propyltriazol-4-yl)propan-1-ol
CID 115834136
N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 105038466
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687797
N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114688709
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105047733
2-methyl-2-methylsulfonyl-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105043401
2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038639
N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114687085
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine?
The IUPAC name of 2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine (CID 105038563) is 2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine is CCCNC(c1cnnn1CCC)C(C)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine?
The InChIKey is FYVIYEVUXDPHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-5-7-13-12(10(3)19(4,17)18)11-9-14-15-16(11)8-6-2/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine?
2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine has a molecular weight of 288.42 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 105038563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).