[1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol

C11H15NO3S — CID 102568969

IUPAC[1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol
SMILESNCC1(CO)CC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c12-7-11(8-13)6-10(11)16(14,15)9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2
InChIKeyQXNCMDUPYYDHTH-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.17
Rot. Bonds4

About [1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol

[1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol (PubChem CID 102568969) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is [1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol
PubChem CID102568969
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name[1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol
SMILESNCC1(CO)CC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c12-7-11(8-13)6-10(11)16(14,15)9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2
InChIKeyQXNCMDUPYYDHTH-UHFFFAOYSA-N
XLogP0.17
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol
CID 99999155
[(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 99999694
cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid
CID 99999201
cis-ethyl (1S,2R)-1-(aminomethyl)-2-(benzenesulfonyl)cyclopropane-1-carboxylate
CID 99999029
[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
CID 95562608
[(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride
CID 178189931
tert-butyl N-[(1S,2S)-1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]carbamate
CID 99999101
[(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol
CID 95002734
trans-(1S,2R)-2-(benzenesulfonyl)-1-phenylcyclopropane-1-carbonitrile
CID 11460276
[(1S,2R,3R)-1-(aminomethyl)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropyl]methanol
CID 124745293
6-(benzenesulfonyl)-2-oxaspiro[3.3]heptane
CID 86685334
(1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol
CID 10934846

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol?
The IUPAC name of [1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol (CID 102568969) is [1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol?
The canonical SMILES for [1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol is NCC1(CO)CC1S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol?
The InChIKey is QXNCMDUPYYDHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c12-7-11(8-13)6-10(11)16(14,15)9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2.
What are the key properties of [1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol?
[1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol has a molecular weight of 241.31 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol is sourced from PubChem (CID 102568969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).