2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide

C12H20N4OS — CID 63920250

IUPAC2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
SMILESCCNC(CSc1cnn(C)c1)(C(N)=O)C1CC1
InChIInChI=1S/C12H20N4OS/c1-3-14-12(11(13)17,9-4-5-9)8-18-10-6-15-16(2)7-10/h6-7,9,14H,3-5,8H2,1-2H3,(H2,13,17)
InChIKeyQVAGMAFKEMAUEZ-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.76
Rot. Bonds7

About 2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide

2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide (PubChem CID 63920250) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
PubChem CID63920250
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
SMILESCCNC(CSc1cnn(C)c1)(C(N)=O)C1CC1
InChIInChI=1S/C12H20N4OS/c1-3-14-12(11(13)17,9-4-5-9)8-18-10-6-15-16(2)7-10/h6-7,9,14H,3-5,8H2,1-2H3,(H2,13,17)
InChIKeyQVAGMAFKEMAUEZ-UHFFFAOYSA-N
XLogP0.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
CID 63916885
2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106925112
3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
CID 63918024
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
CID 63917288
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide
CID 63921435
2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide
CID 107756122
2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide
CID 79671804
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide
CID 64702917
1-(1-methylpyrazol-4-yl)sulfanylbutan-2-one
CID 62041072
2-cyclopropyl-3-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)propanamide
CID 63925390
ethyl 2-cyclopropyl-2-(ethylamino)-3-(3-methylphenyl)sulfanylpropanoate
CID 63921422
2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide
CID 63920086

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide (CID 63920250) is 2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide is CCNC(CSc1cnn(C)c1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide?
The InChIKey is QVAGMAFKEMAUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-14-12(11(13)17,9-4-5-9)8-18-10-6-15-16(2)7-10/h6-7,9,14H,3-5,8H2,1-2H3,(H2,13,17).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide?
2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide has a molecular weight of 268.39 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide is sourced from PubChem (CID 63920250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).