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

C5H10N2S — CID 123818085

IUPACN-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide
SMILESC=C(C)/N=C/N(C)S
InChIInChI=1S/C5H10N2S/c1-5(2)6-4-7(3)8/h4,8H,1H2,2-3H3/b6-4+
InChIKeyZCSDQAHUGCRZGE-GQCTYLIASA-N
MW130.22 g/mol
LogP1.32
Rot. Bonds2

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

N-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide (PubChem CID 123818085) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is N-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide.

Molecular Properties

Compound NameN-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide
PubChem CID123818085
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC NameN-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide
SMILESC=C(C)/N=C/N(C)S
InChIInChI=1S/C5H10N2S/c1-5(2)6-4-7(3)8/h4,8H,1H2,2-3H3/b6-4+
InChIKeyZCSDQAHUGCRZGE-GQCTYLIASA-N
XLogP1.32
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 51.32
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide?
The IUPAC name of N-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide (CID 123818085) is N-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide.
What is the SMILES notation for N-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide?
The canonical SMILES for N-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide is C=C(C)/N=C/N(C)S.
What is the InChIKey of N-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide?
The InChIKey is ZCSDQAHUGCRZGE-GQCTYLIASA-N. The full InChI is InChI=1S/C5H10N2S/c1-5(2)6-4-7(3)8/h4,8H,1H2,2-3H3/b6-4+.
What are the key properties of N-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide?
N-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide has a molecular weight of 130.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide is sourced from PubChem (CID 123818085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).