N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide

C14H22N2O3S — CID 125435236

IUPACN-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide
SMILESC[C@H](CNS(=O)(=O)C1CC1)NCc1cccc(CO)c1
InChIInChI=1S/C14H22N2O3S/c1-11(8-16-20(18,19)14-5-6-14)15-9-12-3-2-4-13(7-12)10-17/h2-4,7,11,14-17H,5-6,8-10H2,1H3/t11-/m1/s1
InChIKeyKXERKVJUDUBJAR-LLVKDONJSA-N
MW298.41 g/mol
LogP0.74
Rot. Bonds8

About N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide

N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide (PubChem CID 125435236) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide
PubChem CID125435236
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide
SMILESC[C@H](CNS(=O)(=O)C1CC1)NCc1cccc(CO)c1
InChIInChI=1S/C14H22N2O3S/c1-11(8-16-20(18,19)14-5-6-14)15-9-12-3-2-4-13(7-12)10-17/h2-4,7,11,14-17H,5-6,8-10H2,1H3/t11-/m1/s1
InChIKeyKXERKVJUDUBJAR-LLVKDONJSA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(butan-2-ylamino)methyl]phenyl]methanol
CID 115717741
[3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol
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3-[[3-(hydroxymethyl)phenyl]methylamino]butanoic acid
CID 107230406
N-[(3-methylphenyl)methyl]cyclopropanesulfonamide
CID 118928947
[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
CID 107229716
[3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol
CID 125443275
N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide
CID 55031487
N-[(2R)-2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]cyclopropanesulfonamide
CID 125443200
[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 103781729
[3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol
CID 107230378
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol
CID 107230392
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide?
The IUPAC name of N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide (CID 125435236) is N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide is C[C@H](CNS(=O)(=O)C1CC1)NCc1cccc(CO)c1.
What is the InChIKey of N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide?
The InChIKey is KXERKVJUDUBJAR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(8-16-20(18,19)14-5-6-14)15-9-12-3-2-4-13(7-12)10-17/h2-4,7,11,14-17H,5-6,8-10H2,1H3/t11-/m1/s1.
What are the key properties of N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide?
N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide is sourced from PubChem (CID 125435236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).