N-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide

C14H22N4O2S — CID 902082

IUPACN-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESC=CCN1CCN(c2ccncc2S(=O)(=O)NCC)CC1
InChIInChI=1S/C14H22N4O2S/c1-3-7-17-8-10-18(11-9-17)13-5-6-15-12-14(13)21(19,20)16-4-2/h3,5-6,12,16H,1,4,7-11H2,2H3
InChIKeyHJNNKFNTRLUNJL-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.69
Rot. Bonds6

About N-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide

N-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide (PubChem CID 902082) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide
PubChem CID902082
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESC=CCN1CCN(c2ccncc2S(=O)(=O)NCC)CC1
InChIInChI=1S/C14H22N4O2S/c1-3-7-17-8-10-18(11-9-17)13-5-6-15-12-14(13)21(19,20)16-4-2/h3,5-6,12,16H,1,4,7-11H2,2H3
InChIKeyHJNNKFNTRLUNJL-UHFFFAOYSA-N
XLogP0.69
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 339079
CID 339079
CID 669138
CID 669138
CID 676049
CID 676049
CID 3663787
CID 3663787
CID 22313850
CID 22313850
CID 819349
CID 819349
CID 12554666
CID 12554666
CID 902073
CID 902073
CID 3623948
CID 3623948
CID 25044690
CID 25044690
CID 46704077
CID 46704077
CID 46704078
CID 46704078

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide (CID 902082) is N-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide is C=CCN1CCN(c2ccncc2S(=O)(=O)NCC)CC1.
What is the InChIKey of N-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide?
The InChIKey is HJNNKFNTRLUNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-3-7-17-8-10-18(11-9-17)13-5-6-15-12-14(13)21(19,20)16-4-2/h3,5-6,12,16H,1,4,7-11H2,2H3.
What are the key properties of N-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide?
N-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-prop-2-enylpiperazin-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 902082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).