N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine

C11H21N3OS — CID 115688184

IUPACN-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine
SMILESCCn1ccnc1CNC(C)CCS(C)=O
InChIInChI=1S/C11H21N3OS/c1-4-14-7-6-12-11(14)9-13-10(2)5-8-16(3)15/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyRHKLLPLKERAZAQ-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.15
Rot. Bonds7

About N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine

N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine (PubChem CID 115688184) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine
PubChem CID115688184
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine
SMILESCCn1ccnc1CNC(C)CCS(C)=O
InChIInChI=1S/C11H21N3OS/c1-4-14-7-6-12-11(14)9-13-10(2)5-8-16(3)15/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyRHKLLPLKERAZAQ-UHFFFAOYSA-N
XLogP1.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
CID 114985494
(1R)-N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401652
2-[(1-ethylimidazol-2-yl)methylamino]pentanoic acid
CID 62735689
(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398756
N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841853
(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 94410101
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
2-[(1-ethylimidazol-2-yl)methyl]-1,1-dimethylhydrazine
CID 83003999
3-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 64666437
N-[(3,5-difluorophenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 115768175
N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 115405976
1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one
CID 115689371

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine (CID 115688184) is N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine is CCn1ccnc1CNC(C)CCS(C)=O.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine?
The InChIKey is RHKLLPLKERAZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-4-14-7-6-12-11(14)9-13-10(2)5-8-16(3)15/h6-7,10,13H,4-5,8-9H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine?
N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine has a molecular weight of 243.38 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfinylbutan-2-amine is sourced from PubChem (CID 115688184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).