N-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide

C16H26N2O3S — CID 97230865

IUPACN-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide
SMILESCC1(C)C[C@H](NCCNS(=O)(=O)c2ccccc2)C(C)(C)O1
InChIInChI=1S/C16H26N2O3S/c1-15(2)12-14(16(3,4)21-15)17-10-11-18-22(19,20)13-8-6-5-7-9-13/h5-9,14,17-18H,10-12H2,1-4H3/t14-/m0/s1
InChIKeyGINWRWFHTLVAKF-AWEZNQCLSA-N
MW326.46 g/mol
LogP1.90
Rot. Bonds6

About N-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide

N-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide (PubChem CID 97230865) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide
PubChem CID97230865
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide
SMILESCC1(C)C[C@H](NCCNS(=O)(=O)c2ccccc2)C(C)(C)O1
InChIInChI=1S/C16H26N2O3S/c1-15(2)12-14(16(3,4)21-15)17-10-11-18-22(19,20)13-8-6-5-7-9-13/h5-9,14,17-18H,10-12H2,1-4H3/t14-/m0/s1
InChIKeyGINWRWFHTLVAKF-AWEZNQCLSA-N
XLogP1.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 154739109
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine
CID 79918908
N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide
CID 118472177
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 47114338
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]benzenesulfonamide
CID 1076269
N-(1-adamantylmethyl)benzenesulfonamide
CID 22206704

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide (CID 97230865) is N-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide is CC1(C)C[C@H](NCCNS(=O)(=O)c2ccccc2)C(C)(C)O1.
What is the InChIKey of N-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is GINWRWFHTLVAKF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-15(2)12-14(16(3,4)21-15)17-10-11-18-22(19,20)13-8-6-5-7-9-13/h5-9,14,17-18H,10-12H2,1-4H3/t14-/m0/s1.
What are the key properties of N-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide?
N-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 97230865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).