N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide

C6H12N2OS — CID 64991857

IUPACN-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide
SMILESCC(CC(N)=S)N(C)C=O
InChIInChI=1S/C6H12N2OS/c1-5(3-6(7)10)8(2)4-9/h4-5H,3H2,1-2H3,(H2,7,10)
InChIKeyGLOVVSHBONYMLB-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.14
Rot. Bonds4

About N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide

N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide (PubChem CID 64991857) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide
PubChem CID64991857
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC NameN-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide
SMILESCC(CC(N)=S)N(C)C=O
InChIInChI=1S/C6H12N2OS/c1-5(3-6(7)10)8(2)4-9/h4-5H,3H2,1-2H3,(H2,7,10)
InChIKeyGLOVVSHBONYMLB-UHFFFAOYSA-N
XLogP0.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide (CID 64991857) is N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide is CC(CC(N)=S)N(C)C=O.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide?
The InChIKey is GLOVVSHBONYMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-5(3-6(7)10)8(2)4-9/h4-5H,3H2,1-2H3,(H2,7,10).
What are the key properties of N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide?
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide has a molecular weight of 160.24 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide is sourced from PubChem (CID 64991857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).