1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol

C15H22N2O3S — CID 61435583

IUPAC1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol
SMILESO=S(=O)(c1ccc(CNC2CC2)cc1)N1CCCC(O)C1
InChIInChI=1S/C15H22N2O3S/c18-14-2-1-9-17(11-14)21(19,20)15-7-3-12(4-8-15)10-16-13-5-6-13/h3-4,7-8,13-14,16,18H,1-2,5-6,9-11H2
InChIKeyKBYPQADUQVQLAM-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.08
Rot. Bonds5

About 1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol

1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol (PubChem CID 61435583) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol
PubChem CID61435583
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol
SMILESO=S(=O)(c1ccc(CNC2CC2)cc1)N1CCCC(O)C1
InChIInChI=1S/C15H22N2O3S/c18-14-2-1-9-17(11-14)21(19,20)15-7-3-12(4-8-15)10-16-13-5-6-13/h3-4,7-8,13-14,16,18H,1-2,5-6,9-11H2
InChIKeyKBYPQADUQVQLAM-UHFFFAOYSA-N
XLogP1.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol
CID 61435532
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 79178519
(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100
N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide
CID 62917136
4-(3-hydroxypiperidin-1-yl)sulfonylbenzaldehyde
CID 146636211
4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzaldehyde
CID 155923738
4-(3-hydroxypiperidin-1-yl)sulfonylbenzonitrile
CID 43394264
(3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol
CID 93033901
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
N-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 123433154
2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid
CID 43503048
N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide
CID 97139801

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol?
The IUPAC name of 1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol (CID 61435583) is 1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol?
The canonical SMILES for 1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol is O=S(=O)(c1ccc(CNC2CC2)cc1)N1CCCC(O)C1.
What is the InChIKey of 1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol?
The InChIKey is KBYPQADUQVQLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-14-2-1-9-17(11-14)21(19,20)15-7-3-12(4-8-15)10-16-13-5-6-13/h3-4,7-8,13-14,16,18H,1-2,5-6,9-11H2.
What are the key properties of 1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol?
1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol has a molecular weight of 310.42 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol is sourced from PubChem (CID 61435583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).