N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide

C11H20N2OS2 — CID 83136109

IUPACN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide
SMILESCC(C)(NC(=O)CC1CCSCC1)C(N)=S
InChIInChI=1S/C11H20N2OS2/c1-11(2,10(12)15)13-9(14)7-8-3-5-16-6-4-8/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyARBVXTKXJCNCND-UHFFFAOYSA-N
MW260.43 g/mol
LogP1.70
Rot. Bonds4

About N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide (PubChem CID 83136109) has the molecular formula C11H20N2OS2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide
PubChem CID83136109
Molecular FormulaC11H20N2OS2
Molecular Weight260.43 g/mol
Exact Mass260.10
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide
SMILESCC(C)(NC(=O)CC1CCSCC1)C(N)=S
InChIInChI=1S/C11H20N2OS2/c1-11(2,10(12)15)13-9(14)7-8-3-5-16-6-4-8/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyARBVXTKXJCNCND-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 51.70
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-cyclopropyl-2-[[2-(thian-4-yl)acetyl]amino]butanamide
CID 166219027
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide
CID 83138084
N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide
CID 114457879
N-propan-2-yl-2-(thian-4-yl)acetamide
CID 80708318
methyl 2-[[2-(thian-4-yl)acetyl]amino]acetate
CID 80708805
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide
CID 61121022
N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(thian-4-yl)acetamide
CID 83136385
N-(4-bromo-2,2-dimethylbutyl)-2-(thian-4-yl)acetamide
CID 106143717
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide
CID 83154806
(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea
CID 61121623
4-methyl-1-(thian-4-yl)pent-4-en-2-one
CID 105112648
N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide
CID 104593565

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide (CID 83136109) is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide is CC(C)(NC(=O)CC1CCSCC1)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide?
The InChIKey is ARBVXTKXJCNCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS2/c1-11(2,10(12)15)13-9(14)7-8-3-5-16-6-4-8/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide?
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide has a molecular weight of 260.43 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 83136109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).