2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C11H20N4OS — CID 66229540

IUPAC2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CSC(C)CCN
InChIInChI=1S/C11H20N4OS/c1-7(4-5-12)17-6-10(16)13-11-8(2)14-15-9(11)3/h7H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyLKPFXKAZJXJAQO-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.44
Rot. Bonds6

About 2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 66229540) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID66229540
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CSC(C)CCN
InChIInChI=1S/C11H20N4OS/c1-7(4-5-12)17-6-10(16)13-11-8(2)14-15-9(11)3/h7H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyLKPFXKAZJXJAQO-UHFFFAOYSA-N
XLogP1.44
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoate
CID 66113995
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112777242
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-propan-2-yloxyacetamide
CID 112687011
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide;dihydrochloride
CID 54592690
3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238065
2-(4-aminophenyl)sulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43299294
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 86847428
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide
CID 43546877
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 43547720
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 54910799
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
CID 4791415
2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683852

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 66229540) is 2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1NC(=O)CSC(C)CCN.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is LKPFXKAZJXJAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-7(4-5-12)17-6-10(16)13-11-8(2)14-15-9(11)3/h7H,4-6,12H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 256.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 66229540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).