[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol

C14H22N2O3S — CID 106996739

IUPAC[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol
SMILESCc1cc(CN)ccc1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H22N2O3S/c1-11-7-12(8-15)4-5-14(11)20(18,19)16-6-2-3-13(9-16)10-17/h4-5,7,13,17H,2-3,6,8-10,15H2,1H3
InChIKeyBRPQVYCOYIHQAK-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.85
Rot. Bonds4

About [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol

[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol (PubChem CID 106996739) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol
PubChem CID106996739
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol
SMILESCc1cc(CN)ccc1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H22N2O3S/c1-11-7-12(8-15)4-5-14(11)20(18,19)16-6-2-3-13(9-16)10-17/h4-5,7,13,17H,2-3,6,8-10,15H2,1H3
InChIKeyBRPQVYCOYIHQAK-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623880
[1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43590112
[3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106996541
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol
CID 106996722
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 62358135
1-[4-(aminomethyl)-2-methylphenyl]sulfonylpyrrolidine-2-carboxamide
CID 106996648
[1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol
CID 65207002
[4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine
CID 106590007
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43589701
[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 43663013

Frequently Asked Questions

What is the IUPAC name of [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol (CID 106996739) is [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol is Cc1cc(CN)ccc1S(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol?
The InChIKey is BRPQVYCOYIHQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-7-12(8-15)4-5-14(11)20(18,19)16-6-2-3-13(9-16)10-17/h4-5,7,13,17H,2-3,6,8-10,15H2,1H3.
What are the key properties of [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol?
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol has a molecular weight of 298.41 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 106996739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).