N'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide

C14H22N2O3S — CID 42637466

IUPACN'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide
SMILESCCCN(/C=N/S(=O)(=O)c1ccc(OC)cc1)CCC
InChIInChI=1S/C14H22N2O3S/c1-4-10-16(11-5-2)12-15-20(17,18)14-8-6-13(19-3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3/b15-12+
InChIKeyRQBGYICIULFJEB-NTCAYCPXSA-N
MW298.41 g/mol
LogP2.53
Rot. Bonds8

About N'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide

N'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide (PubChem CID 42637466) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide
PubChem CID42637466
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide
SMILESCCCN(/C=N/S(=O)(=O)c1ccc(OC)cc1)CCC
InChIInChI=1S/C14H22N2O3S/c1-4-10-16(11-5-2)12-15-20(17,18)14-8-6-13(19-3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3/b15-12+
InChIKeyRQBGYICIULFJEB-NTCAYCPXSA-N
XLogP2.53
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide?
The IUPAC name of N'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide (CID 42637466) is N'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide.
What is the SMILES notation for N'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide?
The canonical SMILES for N'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide is CCCN(/C=N/S(=O)(=O)c1ccc(OC)cc1)CCC.
What is the InChIKey of N'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide?
The InChIKey is RQBGYICIULFJEB-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-10-16(11-5-2)12-15-20(17,18)14-8-6-13(19-3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3/b15-12+.
What are the key properties of N'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide?
N'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide has a molecular weight of 298.41 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)sulfonyl-N,N-dipropylmethanimidamide is sourced from PubChem (CID 42637466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).