2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide

C11H21N3O2S — CID 114233723

IUPAC2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide
SMILESCC(C)(CCSCC(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C11H21N3O2S/c1-11(2,10(12)14-16)5-6-17-7-9(15)13-8-3-4-8/h8,16H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyJOGJRBLMKVTOAK-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.16
Rot. Bonds7

About 2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide

2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide (PubChem CID 114233723) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide
PubChem CID114233723
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide
SMILESCC(C)(CCSCC(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C11H21N3O2S/c1-11(2,10(12)14-16)5-6-17-7-9(15)13-8-3-4-8/h8,16H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyJOGJRBLMKVTOAK-UHFFFAOYSA-N
XLogP1.16
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide
CID 66234862
N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114075
3-amino-N-cyclopropyl-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920327
2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide
CID 84556006
2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide
CID 119389143
4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062368
2-(2-amino-2-methylpropyl)sulfanyl-N-cyclopentylacetamide
CID 66221452
2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide
CID 113293207
2-(2-amino-2-methylpropyl)sulfanyl-N-cyclohexylacetamide
CID 66223801
2-(cyclopropylamino)-3-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 114234494
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylpropanamide
CID 61220192
2-(3-aminobutylsulfanyl)-N-cycloheptylacetamide
CID 66232120

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide?
The IUPAC name of 2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide (CID 114233723) is 2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide is CC(C)(CCSCC(=O)NC1CC1)C(N)=NO.
What is the InChIKey of 2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide?
The InChIKey is JOGJRBLMKVTOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-11(2,10(12)14-16)5-6-17-7-9(15)13-8-3-4-8/h8,16H,3-7H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide?
2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide has a molecular weight of 259.37 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide is sourced from PubChem (CID 114233723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).