N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide

C15H25N5O3S — CID 87274597

IUPACN'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1/C(N)=N/N
InChIInChI=1S/C15H25N5O3S/c1-3-19-7-9-20(10-8-19)24(21,22)12-5-6-14(23-4-2)13(11-12)15(16)18-17/h5-6,11H,3-4,7-10,17H2,1-2H3,(H2,16,18)
InChIKeyMCVRYDPFBONXRR-UHFFFAOYSA-N
MW355.46 g/mol
LogP-0.01
Rot. Bonds6

About N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide

N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide (PubChem CID 87274597) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide
PubChem CID87274597
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC NameN'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1/C(N)=N/N
InChIInChI=1S/C15H25N5O3S/c1-3-19-7-9-20(10-8-19)24(21,22)12-5-6-14(23-4-2)13(11-12)15(16)18-17/h5-6,11H,3-4,7-10,17H2,1-2H3,(H2,16,18)
InChIKeyMCVRYDPFBONXRR-UHFFFAOYSA-N
XLogP-0.01
TPSA114.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide
CID 58596086
N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 6492327
5-(azepan-1-ylsulfonyl)-2-ethoxybenzamide
CID 171134249
5-(4-ethylpiperazin-1-yl)sulfonyl-2-hydroxybenzamide
CID 70847897
5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline
CID 29040961
1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
CID 39730317
phenyl 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonylbenzoate
CID 8765429
(2R)-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 97029826
2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 9190138
2-ethoxy-N-(4-ethyl-1-methylpyrrol-3-yl)-5-[4-(3-fluoropropyl)piperazin-1-yl]sulfonylbenzamide
CID 152609582
1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 934597
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide?
The IUPAC name of N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide (CID 87274597) is N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide is CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1/C(N)=N/N.
What is the InChIKey of N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide?
The InChIKey is MCVRYDPFBONXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-3-19-7-9-20(10-8-19)24(21,22)12-5-6-14(23-4-2)13(11-12)15(16)18-17/h5-6,11H,3-4,7-10,17H2,1-2H3,(H2,16,18).
What are the key properties of N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide?
N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide has a molecular weight of 355.46 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 87274597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).