formaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol

C14H22N2O2S — CID 143934815

IUPACformaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol
SMILESC=Nc1c(C)cccc1S.C=O.CCCC(=O)NC
InChIInChI=1S/C8H9NS.C5H11NO.CH2O/c1-6-4-3-5-7(10)8(6)9-2;1-3-4-5(7)6-2;1-2/h3-5,10H,2H2,1H3;3-4H2,1-2H3,(H,6,7);1H2
InChIKeyZAQZEGXZXJBTLB-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.96
Rot. Bonds3

About formaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol

formaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol (PubChem CID 143934815) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is formaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol.

Molecular Properties

Compound Nameformaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol
PubChem CID143934815
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nameformaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol
SMILESC=Nc1c(C)cccc1S.C=O.CCCC(=O)NC
InChIInChI=1S/C8H9NS.C5H11NO.CH2O/c1-6-4-3-5-7(10)8(6)9-2;1-3-4-5(7)6-2;1-2/h3-5,10H,2H2,1H3;3-4H2,1-2H3,(H,6,7);1H2
InChIKeyZAQZEGXZXJBTLB-UHFFFAOYSA-N
XLogP2.96
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-2-(methylideneamino)benzamide
CID 135267076
N-[2,2,2-trichloro-1-(2-methylanilino)ethyl]butanamide
CID 5184209
N-(2-methyl-3-sulfanylphenyl)pentanamide
CID 4713033
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
4-cyano-N-(2,6-dimethylphenyl)heptanamide
CID 112516684
N-hydroxypropanamide;N-methylbutanamide
CID 158403694
N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide
CID 17202534
benzo[g][1]benzofuran;N-methylbutanamide
CID 174308146
N-(2-ethyl-6-methylphenyl)-N-[(methylcarbamoylamino)methyl]butanamide
CID 134124662
(3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide
CID 99936419
N-methyl-4,4-diphenylbutanamide
CID 125470248
(2-methyl-6-sulfanylphenyl) acetate
CID 174649835

Frequently Asked Questions

What is the IUPAC name of formaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol?
The IUPAC name of formaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol (CID 143934815) is formaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol.
What is the SMILES notation for formaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol?
The canonical SMILES for formaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol is C=Nc1c(C)cccc1S.C=O.CCCC(=O)NC.
What is the InChIKey of formaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol?
The InChIKey is ZAQZEGXZXJBTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS.C5H11NO.CH2O/c1-6-4-3-5-7(10)8(6)9-2;1-3-4-5(7)6-2;1-2/h3-5,10H,2H2,1H3;3-4H2,1-2H3,(H,6,7);1H2.
What are the key properties of formaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol?
formaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol has a molecular weight of 282.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;N-methylbutanamide;3-methyl-2-(methylideneamino)benzenethiol is sourced from PubChem (CID 143934815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).