N'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide

C19H32N4O4S — CID 136727108

IUPACN'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide
SMILESC=CCN/C(=N\CCc1ccco1)N1CCN(S(=O)(=O)CCOC(C)C)CC1
InChIInChI=1S/C19H32N4O4S/c1-4-8-20-19(21-9-7-18-6-5-14-27-18)22-10-12-23(13-11-22)28(24,25)16-15-26-17(2)3/h4-6,14,17H,1,7-13,15-16H2,2-3H3,(H,20,21)
InChIKeyQGENWAQXXXUPEX-UHFFFAOYSA-N
MW412.56 g/mol
LogP1.33
Rot. Bonds10

About N'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide

N'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide (PubChem CID 136727108) has the molecular formula C19H32N4O4S and a molecular weight of 412.56 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide
PubChem CID136727108
Molecular FormulaC19H32N4O4S
Molecular Weight412.56 g/mol
Exact Mass412.21
IUPAC NameN'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide
SMILESC=CCN/C(=N\CCc1ccco1)N1CCN(S(=O)(=O)CCOC(C)C)CC1
InChIInChI=1S/C19H32N4O4S/c1-4-8-20-19(21-9-7-18-6-5-14-27-18)22-10-12-23(13-11-22)28(24,25)16-15-26-17(2)3/h4-6,14,17H,1,7-13,15-16H2,2-3H3,(H,20,21)
InChIKeyQGENWAQXXXUPEX-UHFFFAOYSA-N
XLogP1.33
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide
CID 136727102
4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carboximidamide;hydroiodide
CID 136920644
methyl 1-[N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylcarbamimidoyl]piperidine-4-carboxylate
CID 136924166
4-benzyl-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carboximidamide
CID 136925072
2-[1-[N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylcarbamimidoyl]piperidin-4-yl]-N-methylacetamide
CID 136727088
2-ethyl-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylthiomorpholine-4-carboximidamide
CID 136727070
N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethylsulfonyl)piperazine-1-carboximidamide
CID 110058104
3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide
CID 136727250
N'-[2-(furan-2-yl)ethyl]-4-[3-[2-methoxyethyl(methyl)amino]propyl]-N-prop-2-enylpiperidine-1-carboximidamide;hydroiodide
CID 136727227
N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide
CID 136727066
N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 136727011
N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide
CID 137032152

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide?
The IUPAC name of N'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide (CID 136727108) is N'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide is C=CCN/C(=N\CCc1ccco1)N1CCN(S(=O)(=O)CCOC(C)C)CC1.
What is the InChIKey of N'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide?
The InChIKey is QGENWAQXXXUPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4S/c1-4-8-20-19(21-9-7-18-6-5-14-27-18)22-10-12-23(13-11-22)28(24,25)16-15-26-17(2)3/h4-6,14,17H,1,7-13,15-16H2,2-3H3,(H,20,21).
What are the key properties of N'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide?
N'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide has a molecular weight of 412.56 g/mol, XLogP of 1.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)ethyl]-4-(2-propan-2-yloxyethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide is sourced from PubChem (CID 136727108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).