(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine

C15H24ClN3O3S — CID 59382829

IUPAC(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine
SMILESNS(=O)(=O)NCCC[C@@](O)(c1cccc(Cl)c1)[C@@H]1CCCNC1
InChIInChI=1S/C15H24ClN3O3S/c16-14-6-1-4-12(10-14)15(20,13-5-2-8-18-11-13)7-3-9-19-23(17,21)22/h1,4,6,10,13,18-20H,2-3,5,7-9,11H2,(H2,17,21,22)/t13-,15-/m1/s1
InChIKeyIUDPTXHEBOFUHM-UKRRQHHQSA-N
MW361.90 g/mol
LogP1.10
Rot. Bonds7

About (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine

(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine (PubChem CID 59382829) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine
PubChem CID59382829
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine
SMILESNS(=O)(=O)NCCC[C@@](O)(c1cccc(Cl)c1)[C@@H]1CCCNC1
InChIInChI=1S/C15H24ClN3O3S/c16-14-6-1-4-12(10-14)15(20,13-5-2-8-18-11-13)7-3-9-19-23(17,21)22/h1,4,6,10,13,18-20H,2-3,5,7-9,11H2,(H2,17,21,22)/t13-,15-/m1/s1
InChIKeyIUDPTXHEBOFUHM-UKRRQHHQSA-N
XLogP1.10
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-Chlorophenyl)-4-hydroxypiperidine
CID 38282
(R)-3-((S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl)-N-((S)-1-cyclohexyl-3-(methylamino)propan-2-yl)piperidine-1-carboxamide
CID 46225012
4-Piperidinol, 4-(4-chlorophenyl)-, hydrochloride
CID 3047456
4-(2-Chlorophenyl)piperidin-4-ol
CID 3018169
Bis-(4-chloro-phenyl)-piperidin-3-yl-methanol
CID 44356779
4-((3-Chlorophenyl)methyl)piperidin-4-ol
CID 62787599
4-(2-Chlorophenyl)piperidin-4-ol hydrochloride
CID 86775621
4-(3-Chloro-4-fluorophenyl)piperidin-4-ol
CID 23149843
4-(3-Chloro-5-fluorophenyl)piperidin-4-ol
CID 23149895
4-(4-Chloro-3-fluorophenyl)piperidin-4-ol
CID 23149900
4-(3-Chloro-2-fluorophenyl)piperidin-4-ol
CID 23149985
(1S)-1-(3-chloro-2-fluorophenyl)-1-[(3R)-piperidin-3-yl]hexan-1-ol
CID 58246964

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine?
The IUPAC name of (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine (CID 59382829) is (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine.
What is the SMILES notation for (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine?
The canonical SMILES for (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine is NS(=O)(=O)NCCC[C@@](O)(c1cccc(Cl)c1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine?
The InChIKey is IUDPTXHEBOFUHM-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H24ClN3O3S/c16-14-6-1-4-12(10-14)15(20,13-5-2-8-18-11-13)7-3-9-19-23(17,21)22/h1,4,6,10,13,18-20H,2-3,5,7-9,11H2,(H2,17,21,22)/t13-,15-/m1/s1.
What are the key properties of (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine?
(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine has a molecular weight of 361.90 g/mol, XLogP of 1.10, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine is sourced from PubChem (CID 59382829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).