N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide

C11H22N2O2S — CID 112602687

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(CCC(N)=S)C(C)C
InChIInChI=1S/C11H22N2O2S/c1-8(2)13(6-5-10(12)16)11(14)7-15-9(3)4/h8-9H,5-7H2,1-4H3,(H2,12,16)
InChIKeyIPUWXQIYLQJQAZ-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.32
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide

N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide (PubChem CID 112602687) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide
PubChem CID112602687
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(CCC(N)=S)C(C)C
InChIInChI=1S/C11H22N2O2S/c1-8(2)13(6-5-10(12)16)11(14)7-15-9(3)4/h8-9H,5-7H2,1-4H3,(H2,12,16)
InChIKeyIPUWXQIYLQJQAZ-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide
CID 82104126
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
CID 43291188
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79155454
N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
CID 62538513
3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid
CID 61276954
2-[(3-amino-3-sulfanylidenepropyl)-propan-2-ylamino]-N-methyl-N-propan-2-ylacetamide
CID 54997818
N-(3-amino-3-sulfanylidenepropyl)-2,5-dihydroxy-N-propan-2-ylbenzamide
CID 107722079
N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 106827332
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide
CID 112602755
N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide
CID 112687224
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yladamantane-2-carboxamide
CID 81100380
N-(2-aminopropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112604231

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide (CID 112602687) is N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide is CC(C)OCC(=O)N(CCC(N)=S)C(C)C.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide?
The InChIKey is IPUWXQIYLQJQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-8(2)13(6-5-10(12)16)11(14)7-15-9(3)4/h8-9H,5-7H2,1-4H3,(H2,12,16).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide has a molecular weight of 246.38 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112602687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).