1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine

C9H17N3OS — CID 106581408

IUPAC1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine
SMILESCCCNc1nccn1CCS(C)=O
InChIInChI=1S/C9H17N3OS/c1-3-4-10-9-11-5-6-12(9)7-8-14(2)13/h5-6H,3-4,7-8H2,1-2H3,(H,10,11)
InChIKeyJWKPVFJCMSYKDP-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.08
Rot. Bonds6

About 1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine

1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine (PubChem CID 106581408) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine
PubChem CID106581408
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine
SMILESCCCNc1nccn1CCS(C)=O
InChIInChI=1S/C9H17N3OS/c1-3-4-10-9-11-5-6-12(9)7-8-14(2)13/h5-6H,3-4,7-8H2,1-2H3,(H,10,11)
InChIKeyJWKPVFJCMSYKDP-UHFFFAOYSA-N
XLogP1.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine
CID 106581758
1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580528
1-[2-(diethylamino)ethyl]-N-propylimidazol-2-amine
CID 106555282
1-(2-cyclopropylethyl)-N-propylimidazol-2-amine
CID 106575826
1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106580522
1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine
CID 106565580
N-(3-methylsulfinylpropyl)-1-prop-2-enylimidazol-2-amine
CID 106580517
N-butyl-1-hexylimidazol-2-amine
CID 106573794
N-hexyl-1-propylimidazol-2-amine
CID 106573792
1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine
CID 106568584
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580550

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine?
The IUPAC name of 1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine (CID 106581408) is 1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine?
The canonical SMILES for 1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine is CCCNc1nccn1CCS(C)=O.
What is the InChIKey of 1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine?
The InChIKey is JWKPVFJCMSYKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-4-10-9-11-5-6-12(9)7-8-14(2)13/h5-6H,3-4,7-8H2,1-2H3,(H,10,11).
What are the key properties of 1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine?
1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine has a molecular weight of 215.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine is sourced from PubChem (CID 106581408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).