N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide

C8H16N2OS — CID 61121022

IUPACN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide
SMILESCCCC(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C8H16N2OS/c1-4-5-6(11)10-8(2,3)7(9)12/h4-5H2,1-3H3,(H2,9,12)(H,10,11)
InChIKeyKTDAZAFVVLYDAM-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.97
Rot. Bonds4

About N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide (PubChem CID 61121022) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide
PubChem CID61121022
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide
SMILESCCCC(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C8H16N2OS/c1-4-5-6(11)10-8(2,3)7(9)12/h4-5H2,1-3H3,(H2,9,12)(H,10,11)
InChIKeyKTDAZAFVVLYDAM-UHFFFAOYSA-N
XLogP0.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide
CID 114874782
(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea
CID 61121623
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(thian-4-yl)acetamide
CID 83136109
N-(2-ethoxypropan-2-yl)butanamide
CID 90731701
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methylpentanamide
CID 130214691
(2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid
CID 175415338
N-(2-amino-2-oxoethoxy)butanamide
CID 112550491
CID 158833027
CID 158833027
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide
CID 61121156
ethyl 3-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]propanoate
CID 54951322
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-hydroxynaphthalene-2-carboxamide
CID 61121224
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208340

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide (CID 61121022) is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide is CCCC(=O)NC(C)(C)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide?
The InChIKey is KTDAZAFVVLYDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-4-5-6(11)10-8(2,3)7(9)12/h4-5H2,1-3H3,(H2,9,12)(H,10,11).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide?
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide has a molecular weight of 188.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide is sourced from PubChem (CID 61121022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).