N'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide

C12H18N2S — CID 115679588

IUPACN'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide
SMILESCSC(C)(C)C/N=C(\N)c1ccccc1
InChIInChI=1S/C12H18N2S/c1-12(2,15-3)9-14-11(13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,13,14)
InChIKeyVUINWUCLCLVVPN-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.53
Rot. Bonds4

About N'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide

N'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide (PubChem CID 115679588) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide
PubChem CID115679588
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide
SMILESCSC(C)(C)C/N=C(\N)c1ccccc1
InChIInChI=1S/C12H18N2S/c1-12(2,15-3)9-14-11(13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,13,14)
InChIKeyVUINWUCLCLVVPN-UHFFFAOYSA-N
XLogP2.53
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.53
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-Phenyl-1,2,4-thiadiazole-5-thiol
CID 2795839
N'-Cyanobenzenecarboximidamide
CID 270782
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CID 25231659
n-Benzylacetamidine
CID 445678
N-Phenethyl-benzamidine
CID 12511926
Benzamidine, N-benzyl-, hydrochloride
CID 200368
N-benzylbenzamidine
CID 200369
4,5-Dihydro-3H-benzo[c]azepin-1-ylamine
CID 44264963
N-methylbenzenecarboximidamide hydrochloride
CID 12375797
(2E)-2-{3-[(E)-amino(butylimino)methyl]benzylidene}hydrazinecarboximidamide
CID 10332841
N-benzylacetimidamide hydrochloride
CID 69168126
S3XE9QY4NU
CID 24195698

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide?
The IUPAC name of N'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide (CID 115679588) is N'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide.
What is the SMILES notation for N'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide?
The canonical SMILES for N'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide is CSC(C)(C)C/N=C(\N)c1ccccc1.
What is the InChIKey of N'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide?
The InChIKey is VUINWUCLCLVVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-12(2,15-3)9-14-11(13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,13,14).
What are the key properties of N'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide?
N'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide has a molecular weight of 222.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-2-methylsulfanylpropyl)benzenecarboximidamide is sourced from PubChem (CID 115679588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).