methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate

C14H23N3O2S — CID 64710648

IUPACmethyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate
SMILESCOC(=O)C(C)(CC(C)Sc1nccn1C)NC1CC1
InChIInChI=1S/C14H23N3O2S/c1-10(20-13-15-7-8-17(13)3)9-14(2,12(18)19-4)16-11-5-6-11/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyFCRSNJGCYCOZEZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.97
Rot. Bonds7

About methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate

methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate (PubChem CID 64710648) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate
PubChem CID64710648
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Namemethyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate
SMILESCOC(=O)C(C)(CC(C)Sc1nccn1C)NC1CC1
InChIInChI=1S/C14H23N3O2S/c1-10(20-13-15-7-8-17(13)3)9-14(2,12(18)19-4)16-11-5-6-11/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyFCRSNJGCYCOZEZ-UHFFFAOYSA-N
XLogP1.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylpyrazol-4-yl)sulfanylpentanoate
CID 64705687
methyl 2-(cyclopropylamino)-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoate
CID 64709876
2-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)pentanoic acid
CID 64709872
2-(ethylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoic acid
CID 64710646
methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63025456
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate
CID 64711964
2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid
CID 106924844
2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
CID 64820426
methyl 2-(cyclopropylamino)-4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylpentanoate
CID 66103871
N-[2-(1-methylimidazol-2-yl)sulfanylpropyl]cyclohexanamine
CID 62578765
methyl 2,2-dimethyl-3-(1-methylimidazol-2-yl)sulfanylpropanoate
CID 79622717
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropanoate
CID 63917079

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate (CID 64710648) is methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate is COC(=O)C(C)(CC(C)Sc1nccn1C)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate?
The InChIKey is FCRSNJGCYCOZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10(20-13-15-7-8-17(13)3)9-14(2,12(18)19-4)16-11-5-6-11/h7-8,10-11,16H,5-6,9H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate?
methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate has a molecular weight of 297.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate is sourced from PubChem (CID 64710648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).