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

1-(Naphthalene-2-sulfonyl)-piperazine
CID 703957
4-Methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
1-(1-Naphthylsulfonyl)piperidine
CID 962543
(3H)SB-733993
CID 73755092
N-[3-(dimethylamino)propyl]naphthalene-2-sulfonamide
CID 2200900
N-(6-Aminohexyl)-1-naphthalenesulfonamide
CID 4314
1-Naphthalen-2-ylsulfonylpiperidine
CID 764406
4-Methyl-1-(2-naphthylsulfonyl)piperidine
CID 767330
N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2-sulfonamide
CID 808062
N-[3-(pyrrolidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 8843131
N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-1-sulfonamide
CID 9820952
(R)-2-[2-(4-Methyl-piperidin-1-yl)ethyl]-1-(naphthalene-1-sulfonyl)pyrrolidine
CID 10249573

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).