[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol

C14H22N2O3S — CID 116634411

IUPAC[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol
SMILESNCc1cccc(S(=O)(=O)N2CCCCCC2CO)c1
InChIInChI=1S/C14H22N2O3S/c15-10-12-5-4-7-14(9-12)20(18,19)16-8-3-1-2-6-13(16)11-17/h4-5,7,9,13,17H,1-3,6,8,10-11,15H2
InChIKeyDNRINJAIGWBLEX-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.07
Rot. Bonds4

About [1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol

[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol (PubChem CID 116634411) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol
PubChem CID116634411
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol
SMILESNCc1cccc(S(=O)(=O)N2CCCCCC2CO)c1
InChIInChI=1S/C14H22N2O3S/c15-10-12-5-4-7-14(9-12)20(18,19)16-8-3-1-2-6-13(16)11-17/h4-5,7,9,13,17H,1-3,6,8,10-11,15H2
InChIKeyDNRINJAIGWBLEX-UHFFFAOYSA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 83053469
1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 75400479
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol
CID 106996722
[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol
CID 63288078
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3809437
[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol
CID 43579017
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590
1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 79028773
[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 115328812
1-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 66260795
[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol
CID 116636713
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618

Frequently Asked Questions

What is the IUPAC name of [1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol?
The IUPAC name of [1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol (CID 116634411) is [1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol.
What is the SMILES notation for [1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol?
The canonical SMILES for [1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol is NCc1cccc(S(=O)(=O)N2CCCCCC2CO)c1.
What is the InChIKey of [1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol?
The InChIKey is DNRINJAIGWBLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c15-10-12-5-4-7-14(9-12)20(18,19)16-8-3-1-2-6-13(16)11-17/h4-5,7,9,13,17H,1-3,6,8,10-11,15H2.
What are the key properties of [1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol?
[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol has a molecular weight of 298.41 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol is sourced from PubChem (CID 116634411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).