1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol

C15H24N2O3S — CID 107408422

IUPAC1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol
SMILESCCNc1ccc(S(=O)(=O)N2CCCC(C)(O)CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-16-13-5-7-14(8-6-13)21(19,20)17-11-4-9-15(2,18)10-12-17/h5-8,16,18H,3-4,9-12H2,1-2H3
InChIKeyPUJVIKJGQDBVIO-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.04
Rot. Bonds4

About 1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol

1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol (PubChem CID 107408422) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol
PubChem CID107408422
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol
SMILESCCNc1ccc(S(=O)(=O)N2CCCC(C)(O)CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-16-13-5-7-14(8-6-13)21(19,20)17-11-4-9-15(2,18)10-12-17/h5-8,16,18H,3-4,9-12H2,1-2H3
InChIKeyPUJVIKJGQDBVIO-UHFFFAOYSA-N
XLogP2.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol
CID 107405201
N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 63162308
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline
CID 63219174
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 107405922
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 81102847
4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 62144052
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
CID 81108237
1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
CID 81108857
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103770

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol?
The IUPAC name of 1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol (CID 107408422) is 1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol.
What is the SMILES notation for 1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol?
The canonical SMILES for 1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol is CCNc1ccc(S(=O)(=O)N2CCCC(C)(O)CC2)cc1.
What is the InChIKey of 1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol?
The InChIKey is PUJVIKJGQDBVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-16-13-5-7-14(8-6-13)21(19,20)17-11-4-9-15(2,18)10-12-17/h5-8,16,18H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol?
1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol has a molecular weight of 312.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol is sourced from PubChem (CID 107408422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).