2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide

C10H21N3OS — CID 60730087

IUPAC2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(C)CC(N)=S
InChIInChI=1S/C10H21N3OS/c1-7(2)8(3)12-10(14)6-13(4)5-9(11)15/h7-8H,5-6H2,1-4H3,(H2,11,15)(H,12,14)
InChIKeyWFIRLIVUNUYDFA-UHFFFAOYSA-N
MW231.36 g/mol
LogP0.37
Rot. Bonds6

About 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide

2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 60730087) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID60730087
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC Name2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(C)CC(N)=S
InChIInChI=1S/C10H21N3OS/c1-7(2)8(3)12-10(14)6-13(4)5-9(11)15/h7-8H,5-6H2,1-4H3,(H2,11,15)(H,12,14)
InChIKeyWFIRLIVUNUYDFA-UHFFFAOYSA-N
XLogP0.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43442431
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide
CID 4962723
2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710546
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559545
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559536
2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 51081968
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide
CID 60729940
2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 61489563
N-(3,4-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8709970
2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 54962103
methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate
CID 102470041
2-hydroxy-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 172508602

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide (CID 60730087) is 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN(C)CC(N)=S.
What is the InChIKey of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is WFIRLIVUNUYDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-7(2)8(3)12-10(14)6-13(4)5-9(11)15/h7-8H,5-6H2,1-4H3,(H2,11,15)(H,12,14).
What are the key properties of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide?
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 231.36 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 60730087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).