N'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide

C6H12N2S — CID 123486253

IUPACN'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide
SMILESC=C(CC)/N=C/N(C)S
InChIInChI=1S/C6H12N2S/c1-4-6(2)7-5-8(3)9/h5,9H,2,4H2,1,3H3/b7-5+
InChIKeyRAQYYHKACKKEGK-FNORWQNLSA-N
MW144.24 g/mol
LogP1.72
Rot. Bonds3

About N'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide

N'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide (PubChem CID 123486253) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is N'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide.

Molecular Properties

Compound NameN'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide
PubChem CID123486253
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC NameN'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide
SMILESC=C(CC)/N=C/N(C)S
InChIInChI=1S/C6H12N2S/c1-4-6(2)7-5-8(3)9/h5,9H,2,4H2,1,3H3/b7-5+
InChIKeyRAQYYHKACKKEGK-FNORWQNLSA-N
XLogP1.72
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-N'-prop-1-en-2-ylmethanimidamide
CID 12222069
N'-but-1-en-2-yl-N,N-dimethylmethanimidamide
CID 123563027
N'-but-1-en-2-yl-N-methylidenemethanimidamide
CID 123772088
N-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide
CID 123818085
N-but-1-en-2-yl-N,N'-dimethylmethanimidamide
CID 142934721

Frequently Asked Questions

What is the IUPAC name of N'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide?
The IUPAC name of N'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide (CID 123486253) is N'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide.
What is the SMILES notation for N'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide?
The canonical SMILES for N'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide is C=C(CC)/N=C/N(C)S.
What is the InChIKey of N'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide?
The InChIKey is RAQYYHKACKKEGK-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2S/c1-4-6(2)7-5-8(3)9/h5,9H,2,4H2,1,3H3/b7-5+.
What are the key properties of N'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide?
N'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide has a molecular weight of 144.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-en-2-yl-N-methyl-N-sulfanylmethanimidamide is sourced from PubChem (CID 123486253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).