N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide

C17H26N2O3S — CID 124570805

IUPACN-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide
SMILESCCO[C@@H]1C[C@@H](Nc2ccc(NS(=O)(=O)CC)cc2)C12CCC2
InChIInChI=1S/C17H26N2O3S/c1-3-22-16-12-15(17(16)10-5-11-17)18-13-6-8-14(9-7-13)19-23(20,21)4-2/h6-9,15-16,18-19H,3-5,10-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyMVGWLFQBNKYPPF-HZPDHXFCSA-N
MW338.47 g/mol
LogP3.21
Rot. Bonds7

About N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide

N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide (PubChem CID 124570805) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide
PubChem CID124570805
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide
SMILESCCO[C@@H]1C[C@@H](Nc2ccc(NS(=O)(=O)CC)cc2)C12CCC2
InChIInChI=1S/C17H26N2O3S/c1-3-22-16-12-15(17(16)10-5-11-17)18-13-6-8-14(9-7-13)19-23(20,21)4-2/h6-9,15-16,18-19H,3-5,10-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyMVGWLFQBNKYPPF-HZPDHXFCSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide with MolForge

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Related Compounds

3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295079
3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295180
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295433
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
(1R,3R)-3-ethoxy-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]spiro[3.3]heptan-1-amine
CID 124616450
N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295033
N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295443
5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 65295488
3-ethoxy-N-(3-iodophenyl)spiro[3.4]octan-1-amine
CID 64864037
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine
CID 65295489
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295482
N-(3-ethoxyspiro[3.5]nonan-1-yl)thiophen-3-amine
CID 66352329

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide (CID 124570805) is N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide is CCO[C@@H]1C[C@@H](Nc2ccc(NS(=O)(=O)CC)cc2)C12CCC2.
What is the InChIKey of N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide?
The InChIKey is MVGWLFQBNKYPPF-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-22-16-12-15(17(16)10-5-11-17)18-13-6-8-14(9-7-13)19-23(20,21)4-2/h6-9,15-16,18-19H,3-5,10-12H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide?
N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide is sourced from PubChem (CID 124570805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).