3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol

C15H24N2O3S — CID 98852377

IUPAC3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol
SMILESC[C@H](c1cccc(O)c1)N(C)S(=O)(=O)N(C)[C@H](C)C1CC1
InChIInChI=1S/C15H24N2O3S/c1-11(13-8-9-13)16(3)21(19,20)17(4)12(2)14-6-5-7-15(18)10-14/h5-7,10-13,18H,8-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyISTVZIAULBDUDM-VXGBXAGGSA-N
MW312.44 g/mol
LogP2.36
Rot. Bonds6

About 3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol

3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol (PubChem CID 98852377) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol
PubChem CID98852377
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol
SMILESC[C@H](c1cccc(O)c1)N(C)S(=O)(=O)N(C)[C@H](C)C1CC1
InChIInChI=1S/C15H24N2O3S/c1-11(13-8-9-13)16(3)21(19,20)17(4)12(2)14-6-5-7-15(18)10-14/h5-7,10-13,18H,8-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyISTVZIAULBDUDM-VXGBXAGGSA-N
XLogP2.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol
CID 98852376
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide
CID 60873070
N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide
CID 97239326
N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide
CID 81258859
N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide
CID 95588566
methyl 2-cyclopropyl-2-(3-hydroxyphenyl)ethanesulfonate
CID 156844307
3-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride
CID 171160686
3-(1-hydroxyethyl)phenol;methanesulfonic acid
CID 174877430
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
3-[(4R)-4-cyclobutylpentan-2-yl]phenol
CID 142796254
3-[1-(N,4-dimethylanilino)ethyl]phenol
CID 82978141

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol?
The IUPAC name of 3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol (CID 98852377) is 3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol.
What is the SMILES notation for 3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol?
The canonical SMILES for 3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol is C[C@H](c1cccc(O)c1)N(C)S(=O)(=O)N(C)[C@H](C)C1CC1.
What is the InChIKey of 3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol?
The InChIKey is ISTVZIAULBDUDM-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(13-8-9-13)16(3)21(19,20)17(4)12(2)14-6-5-7-15(18)10-14/h5-7,10-13,18H,8-9H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of 3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol?
3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol has a molecular weight of 312.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol is sourced from PubChem (CID 98852377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).