N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C11H22N2O2S — CID 112602720

IUPACN-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCC(CC(N)=S)NC(=O)COC(C)(C)C
InChIInChI=1S/C11H22N2O2S/c1-5-8(6-9(12)16)13-10(14)7-15-11(2,3)4/h8H,5-7H2,1-4H3,(H2,12,16)(H,13,14)
InChIKeyPTBYEFOSSSLCTL-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.37
Rot. Bonds6

About N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112602720) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112602720
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCC(CC(N)=S)NC(=O)COC(C)(C)C
InChIInChI=1S/C11H22N2O2S/c1-5-8(6-9(12)16)13-10(14)7-15-11(2,3)4/h8H,5-7H2,1-4H3,(H2,12,16)(H,13,14)
InChIKeyPTBYEFOSSSLCTL-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.37
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

N-(1-hydroxybutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603120
tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate
CID 62651256
N-(1-amino-1-sulfanylidenepentan-3-yl)-3,5,5-trimethylhexanamide
CID 62651644
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide
CID 103020409
N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide
CID 62651450
N-(1-aminohexan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603533
1-(1-amino-1-sulfanylidenepentan-3-yl)-3-ethylurea
CID 62651279
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602752
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-ethylhexanamide
CID 62651275
tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
CID 103940412
N-[3-methyl-3-[3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentoxy]pentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 170265691
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide
CID 62652001

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112602720) is N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CCC(CC(N)=S)NC(=O)COC(C)(C)C.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is PTBYEFOSSSLCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-5-8(6-9(12)16)13-10(14)7-15-11(2,3)4/h8H,5-7H2,1-4H3,(H2,12,16)(H,13,14).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 246.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112602720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).