N,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide

C13H20N2S — CID 66087420

IUPACN,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide
SMILES[H]/N=C(/CSc1cccc(C)c1)N(CC)CC
InChIInChI=1S/C13H20N2S/c1-4-15(5-2)13(14)10-16-12-8-6-7-11(3)9-12/h6-9,14H,4-5,10H2,1-3H3/b14-13-
InChIKeyHCECUNHMAZXPLC-YPKPFQOOSA-N
MW236.38 g/mol
LogP3.41
Rot. Bonds5

About N,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide

N,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide (PubChem CID 66087420) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide
PubChem CID66087420
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide
SMILES[H]/N=C(/CSc1cccc(C)c1)N(CC)CC
InChIInChI=1S/C13H20N2S/c1-4-15(5-2)13(14)10-16-12-8-6-7-11(3)9-12/h6-9,14H,4-5,10H2,1-3H3/b14-13-
InChIKeyHCECUNHMAZXPLC-YPKPFQOOSA-N
XLogP3.41
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.41
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'}

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Related Compounds

3-(3-methylphenyl)sulfanylpropanimidamide
CID 61243250
(3-methylphenyl)sulfanyl propanimidothioate
CID 87552380
2-[(3-methylphenyl)sulfanylmethyl]prop-2-ene-1-thiol
CID 103074199
1-(3-methylphenyl)sulfanylundecan-2-one
CID 66088123
N',N'-diethyl-N-[2-(3-methylphenyl)sulfanylethyl]ethane-1,2-diamine
CID 55092148
2-[1-[(3-methylphenyl)sulfanylmethyl]cyclopropyl]ethanimidamide
CID 65494236
1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094
ethyl 5-(3-methylphenyl)sulfanyl-4-oxopentanoate
CID 66323173
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
1-(3-methylphenyl)sulfanylpent-4-en-2-one
CID 66086575
N-ethyl-N,3-dimethylbenzenecarboximidamide
CID 175721191
1-(1,3-benzodioxol-5-yl)-2-(3-methylphenyl)sulfanylethanone
CID 47356559

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide?
The IUPAC name of N,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide (CID 66087420) is N,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide.
What is the SMILES notation for N,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide?
The canonical SMILES for N,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide is [H]/N=C(/CSc1cccc(C)c1)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide?
The InChIKey is HCECUNHMAZXPLC-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H20N2S/c1-4-15(5-2)13(14)10-16-12-8-6-7-11(3)9-12/h6-9,14H,4-5,10H2,1-3H3/b14-13-.
What are the key properties of N,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide?
N,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide has a molecular weight of 236.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-methylphenyl)sulfanylethanimidamide is sourced from PubChem (CID 66087420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).