(5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine

C9H17N3S — CID 139016860

IUPAC(5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCNC1=NC[C@H](CCSC)N1
InChIInChI=1S/C9H17N3S/c1-3-5-10-9-11-7-8(12-9)4-6-13-2/h3,8H,1,4-7H2,2H3,(H2,10,11,12)/t8-/m0/s1
InChIKeyMGVGNTVSAMMLTH-QMMMGPOBSA-N
MW199.32 g/mol
LogP0.84
Rot. Bonds5

About (5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine

(5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 139016860) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is (5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID139016860
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name(5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCNC1=NC[C@H](CCSC)N1
InChIInChI=1S/C9H17N3S/c1-3-5-10-9-11-7-8(12-9)4-6-13-2/h3,8H,1,4-7H2,2H3,(H2,10,11,12)/t8-/m0/s1
InChIKeyMGVGNTVSAMMLTH-QMMMGPOBSA-N
XLogP0.84
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of (5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine (CID 139016860) is (5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for (5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for (5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine is C=CCNC1=NC[C@H](CCSC)N1.
What is the InChIKey of (5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is MGVGNTVSAMMLTH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17N3S/c1-3-5-10-9-11-7-8(12-9)4-6-13-2/h3,8H,1,4-7H2,2H3,(H2,10,11,12)/t8-/m0/s1.
What are the key properties of (5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
(5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 199.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 139016860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).