2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide

C13H22N4OS — CID 63915925

IUPAC2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(CSc1nccn1C)(C(N)=O)C1CC1
InChIInChI=1S/C13H22N4OS/c1-9(2)16-13(11(14)18,10-4-5-10)8-19-12-15-6-7-17(12)3/h6-7,9-10,16H,4-5,8H2,1-3H3,(H2,14,18)
InChIKeySIIZHFQTBDBSML-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.14
Rot. Bonds7

About 2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide

2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide (PubChem CID 63915925) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide
PubChem CID63915925
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(CSc1nccn1C)(C(N)=O)C1CC1
InChIInChI=1S/C13H22N4OS/c1-9(2)16-13(11(14)18,10-4-5-10)8-19-12-15-6-7-17(12)3/h6-7,9-10,16H,4-5,8H2,1-3H3,(H2,14,18)
InChIKeySIIZHFQTBDBSML-UHFFFAOYSA-N
XLogP1.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropanoate
CID 63917079
1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 115648629
2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
CID 64820426
ethyl 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanoate
CID 63915936
2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide
CID 79670744
2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide
CID 63918417
N-(cyclooctylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 75405791
methyl 2,2-dimethyl-3-(1-methylimidazol-2-yl)sulfanylpropanoate
CID 79622717
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 30605276
2-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)pentanoic acid
CID 64709872
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propanoic acid
CID 63918882
2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide
CID 63908270

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide (CID 63915925) is 2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide is CC(C)NC(CSc1nccn1C)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide?
The InChIKey is SIIZHFQTBDBSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9(2)16-13(11(14)18,10-4-5-10)8-19-12-15-6-7-17(12)3/h6-7,9-10,16H,4-5,8H2,1-3H3,(H2,14,18).
What are the key properties of 2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide?
2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide has a molecular weight of 282.41 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 63915925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).