2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine

C10H19N3O2S — CID 115858993

IUPAC2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1C(N)C(C)S(C)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-4-6-13-7-5-12-10(13)9(11)8(2)16(3,14)15/h5,7-9H,4,6,11H2,1-3H3
InChIKeyURRKGTBLYPZUAR-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.73
Rot. Bonds5

About 2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine

2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine (PubChem CID 115858993) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine
PubChem CID115858993
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1C(N)C(C)S(C)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-4-6-13-7-5-12-10(13)9(11)8(2)16(3,14)15/h5,7-9H,4,6,11H2,1-3H3
InChIKeyURRKGTBLYPZUAR-UHFFFAOYSA-N
XLogP0.73
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 114029101
N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 115622276
[2,2-difluoro-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105265098
2-cyclopropyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 116723094
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353
(2-methylcyclopropyl)-(1-propylimidazol-2-yl)methanamine
CID 65420833
N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63967916
2-ethyl-2-N,2-N-dimethyl-1-(1-propylimidazol-2-yl)butane-1,2-diamine
CID 79061867
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
1-butyl-2-propan-2-ylimidazole
CID 11506521
2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 64534593

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine?
The IUPAC name of 2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine (CID 115858993) is 2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine is CCCn1ccnc1C(N)C(C)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine?
The InChIKey is URRKGTBLYPZUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-4-6-13-7-5-12-10(13)9(11)8(2)16(3,14)15/h5,7-9H,4,6,11H2,1-3H3.
What are the key properties of 2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine?
2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine has a molecular weight of 245.35 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 115858993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).