ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide

C11H30N2O2S — CID 144690216

IUPACethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide
SMILESCC.CC.CCS(=O)(=O)NC1CCNCC1.[H][H]
InChIInChI=1S/C7H16N2O2S.2C2H6.H2/c1-2-12(10,11)9-7-3-5-8-6-4-7;2*1-2;/h7-9H,2-6H2,1H3;2*1-2H3;1H
InChIKeyMSRXJEZKHGCSBJ-UHFFFAOYSA-N
MW254.44 g/mol
LogP1.98
Rot. Bonds3

About ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide

ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide (PubChem CID 144690216) has the molecular formula C11H30N2O2S and a molecular weight of 254.44 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide
PubChem CID144690216
Molecular FormulaC11H30N2O2S
Molecular Weight254.44 g/mol
Exact Mass254.20
IUPAC Nameethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide
SMILESCC.CC.CCS(=O)(=O)NC1CCNCC1.[H][H]
InChIInChI=1S/C7H16N2O2S.2C2H6.H2/c1-2-12(10,11)9-7-3-5-8-6-4-7;2*1-2;/h7-9H,2-6H2,1H3;2*1-2H3;1H
InChIKeyMSRXJEZKHGCSBJ-UHFFFAOYSA-N
XLogP1.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 79684935
2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride
CID 119960526
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
2-methoxy-N-piperidin-4-ylpropane-1-sulfonamide;hydrochloride
CID 120998878
N-(1,1-dioxothian-4-yl)ethanesulfonamide
CID 64586482
N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide
CID 60892687
4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 60808887
propane;N-pyrrolidin-3-ylmethanesulfonamide
CID 143474568
N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61356177
3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
CID 103828888
N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide
CID 22772497

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide?
The IUPAC name of ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide (CID 144690216) is ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide?
The canonical SMILES for ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide is CC.CC.CCS(=O)(=O)NC1CCNCC1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide?
The InChIKey is MSRXJEZKHGCSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.2C2H6.H2/c1-2-12(10,11)9-7-3-5-8-6-4-7;2*1-2;/h7-9H,2-6H2,1H3;2*1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide?
ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide has a molecular weight of 254.44 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 144690216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).