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

C13H25N3O2S — CID 105012195

IUPAC1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCNC(Cc1nccn1CCC)CS(C)(=O)=O
InChIInChI=1S/C13H25N3O2S/c1-4-6-14-12(11-19(3,17)18)10-13-15-7-9-16(13)8-5-2/h7,9,12,14H,4-6,8,10-11H2,1-3H3
InChIKeyZLJPLBWTCPSKIG-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.25
Rot. Bonds9

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

1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine (PubChem CID 105012195) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
PubChem CID105012195
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCNC(Cc1nccn1CCC)CS(C)(=O)=O
InChIInChI=1S/C13H25N3O2S/c1-4-6-14-12(11-19(3,17)18)10-13-15-7-9-16(13)8-5-2/h7,9,12,14H,4-6,8,10-11H2,1-3H3
InChIKeyZLJPLBWTCPSKIG-UHFFFAOYSA-N
XLogP1.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472
N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 115622276
4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 105012491
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215840
5-methoxy-N-propyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79761113
N-propyl-1-(1-propylimidazol-2-yl)-3-pyridin-2-ylpropan-2-amine
CID 79752625
4-cyclopentyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012343
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760658
1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine
CID 105009255
N-[1-(2-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105167698

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine (CID 105012195) is 1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine is CCCNC(Cc1nccn1CCC)CS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The InChIKey is ZLJPLBWTCPSKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-4-6-14-12(11-19(3,17)18)10-13-15-7-9-16(13)8-5-2/h7,9,12,14H,4-6,8,10-11H2,1-3H3.
What are the key properties of 1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine?
1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine has a molecular weight of 287.43 g/mol, XLogP of 1.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 105012195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).