2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine

C9H17N3OS — CID 114707669

IUPAC2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine
SMILESCS(=O)CCn1cncc1C(C)(C)N
InChIInChI=1S/C9H17N3OS/c1-9(2,10)8-6-11-7-12(8)4-5-14(3)13/h6-7H,4-5,10H2,1-3H3
InChIKeyNHSYPMRRCBDYIG-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.46
Rot. Bonds4

About 2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine

2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine (PubChem CID 114707669) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine
PubChem CID114707669
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine
SMILESCS(=O)CCn1cncc1C(C)(C)N
InChIInChI=1S/C9H17N3OS/c1-9(2,10)8-6-11-7-12(8)4-5-14(3)13/h6-7H,4-5,10H2,1-3H3
InChIKeyNHSYPMRRCBDYIG-UHFFFAOYSA-N
XLogP0.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-methylsulfonylpropyl)imidazol-4-yl]propan-2-amine
CID 114704632
2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine
CID 106291716
2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine
CID 114702568
2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine
CID 114707151
3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine
CID 114707663
2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine
CID 114707859
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine
CID 114706508
5-tert-butyl-1-(2-methoxyethyl)imidazole
CID 155642185
2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine
CID 106410323
1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421223
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 114703081
2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine
CID 114705574

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine (CID 114707669) is 2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine is CS(=O)CCn1cncc1C(C)(C)N.
What is the InChIKey of 2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine?
The InChIKey is NHSYPMRRCBDYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-9(2,10)8-6-11-7-12(8)4-5-14(3)13/h6-7H,4-5,10H2,1-3H3.
What are the key properties of 2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine?
2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine has a molecular weight of 215.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114707669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).