ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen

C15H28N2O2S — CID 162749983

IUPACethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
SMILESCC.CCN1CCCC(NS(=O)(=O)c2ccccc2)C1.[H][H]
InChIInChI=1S/C13H20N2O2S.C2H6.H2/c1-2-15-10-6-7-12(11-15)14-18(16,17)13-8-4-3-5-9-13;1-2;/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3;1-2H3;1H
InChIKeyCRWZCIGOTYKLAX-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.72
Rot. Bonds4

About ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen

ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 162749983) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
PubChem CID162749983
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Nameethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
SMILESCC.CCN1CCCC(NS(=O)(=O)c2ccccc2)C1.[H][H]
InChIInChI=1S/C13H20N2O2S.C2H6.H2/c1-2-15-10-6-7-12(11-15)14-18(16,17)13-8-4-3-5-9-13;1-2;/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3;1-2H3;1H
InChIKeyCRWZCIGOTYKLAX-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 47350084
N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide
CID 52534323
N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 52534305
4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 61476754
N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide
CID 95310247
3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride
CID 56802015
N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
CID 81242229
N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]benzenesulfonamide
CID 75375180
3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide
CID 61171917
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
3-amino-N-(1-ethylpiperidin-3-yl)pyridine-2-sulfonamide
CID 103305213

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen?
The IUPAC name of ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen (CID 162749983) is ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen?
The canonical SMILES for ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen is CC.CCN1CCCC(NS(=O)(=O)c2ccccc2)C1.[H][H].
What is the InChIKey of ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen?
The InChIKey is CRWZCIGOTYKLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.C2H6.H2/c1-2-15-10-6-7-12(11-15)14-18(16,17)13-8-4-3-5-9-13;1-2;/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3;1-2H3;1H.
What are the key properties of ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen?
ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 300.47 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 162749983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).