N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide

C15H24N2O3S — CID 95627739

IUPACN-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN(CCO)[C@H]1CCc2ccccc21
InChIInChI=1S/C15H24N2O3S/c1-2-21(19,20)16-9-10-17(11-12-18)15-8-7-13-5-3-4-6-14(13)15/h3-6,15-16,18H,2,7-12H2,1H3/t15-/m0/s1
InChIKeyKBICVXTVYQFIDS-HNNXBMFYSA-N
MW312.44 g/mol
LogP0.91
Rot. Bonds8

About N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide

N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide (PubChem CID 95627739) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
PubChem CID95627739
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN(CCO)[C@H]1CCc2ccccc21
InChIInChI=1S/C15H24N2O3S/c1-2-21(19,20)16-9-10-17(11-12-18)15-8-7-13-5-3-4-6-14(13)15/h3-6,15-16,18H,2,7-12H2,1H3/t15-/m0/s1
InChIKeyKBICVXTVYQFIDS-HNNXBMFYSA-N
XLogP0.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
2-[2-methylsulfonylethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethanol
CID 96547860
2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333650
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate
CID 111799360
3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol
CID 95627492
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 111333592
2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111333577
(1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol
CID 95627737
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol
CID 96547859
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95322140

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide (CID 95627739) is N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCN(CCO)[C@H]1CCc2ccccc21.
What is the InChIKey of N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide?
The InChIKey is KBICVXTVYQFIDS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-21(19,20)16-9-10-17(11-12-18)15-8-7-13-5-3-4-6-14(13)15/h3-6,15-16,18H,2,7-12H2,1H3/t15-/m0/s1.
What are the key properties of N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide?
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide is sourced from PubChem (CID 95627739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).