ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide

C21H30N2O2S — CID 142910503

IUPACethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide
SMILESC=CCN(CC1CCNCC1)S(=O)(=O)c1cccc2ccccc12.CC
InChIInChI=1S/C19H24N2O2S.C2H6/c1-2-14-21(15-16-10-12-20-13-11-16)24(22,23)19-9-5-7-17-6-3-4-8-18(17)19;1-2/h2-9,16,20H,1,10-15H2;1-2H3
InChIKeyMELDFWJKKRDUNI-UHFFFAOYSA-N
MW374.55 g/mol
LogP4.04
Rot. Bonds6

About ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide

ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide (PubChem CID 142910503) has the molecular formula C21H30N2O2S and a molecular weight of 374.55 g/mol. Its IUPAC name is ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Nameethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide
PubChem CID142910503
Molecular FormulaC21H30N2O2S
Molecular Weight374.55 g/mol
Exact Mass374.20
IUPAC Nameethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide
SMILESC=CCN(CC1CCNCC1)S(=O)(=O)c1cccc2ccccc12.CC
InChIInChI=1S/C19H24N2O2S.C2H6/c1-2-14-21(15-16-10-12-20-13-11-16)24(22,23)19-9-5-7-17-6-3-4-8-18(17)19;1-2/h2-9,16,20H,1,10-15H2;1-2H3
InChIKeyMELDFWJKKRDUNI-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide
CID 114795839
N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide
CID 115887203
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide
CID 95974974
ethane;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfinamide
CID 142910612
N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 119930432
N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide
CID 43606886
N,N-bis(cyanomethyl)naphthalene-1-sulfonamide
CID 115684138
2-oxo-N,N-bis(prop-2-enyl)-1H-quinoline-8-sulfonamide
CID 171054438
2-chloro-N-(piperidin-4-ylmethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide;N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide;1-piperidin-4-ylindole;N-(piperidin-4-ylmethyl)benzenesulfonamide;N-(piperidin-4-ylmethyl)naphthalene-1-carboxamide;N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide;N-(piperidin-4-ylmethyl)naphthalene-2-sulfonamide;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide;N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide
CID 157342354
N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfinamide
CID 142909479
N,N-bis(prop-2-enyl)quinoline-8-sulfonamide
CID 3546701
N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
CID 21131549

Frequently Asked Questions

What is the IUPAC name of ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide?
The IUPAC name of ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide (CID 142910503) is ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide.
What is the SMILES notation for ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide?
The canonical SMILES for ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide is C=CCN(CC1CCNCC1)S(=O)(=O)c1cccc2ccccc12.CC.
What is the InChIKey of ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide?
The InChIKey is MELDFWJKKRDUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.C2H6/c1-2-14-21(15-16-10-12-20-13-11-16)24(22,23)19-9-5-7-17-6-3-4-8-18(17)19;1-2/h2-9,16,20H,1,10-15H2;1-2H3.
What are the key properties of ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide?
ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide has a molecular weight of 374.55 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide is sourced from PubChem (CID 142910503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).