N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide

C15H26N4O3S — CID 124702095

IUPACN-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide
SMILESNC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cnn(C2CCOCC2)c1
InChIInChI=1S/C15H26N4O3S/c16-9-12-3-1-2-4-15(12)18-23(20,21)14-10-17-19(11-14)13-5-7-22-8-6-13/h10-13,15,18H,1-9,16H2/t12-,15-/m1/s1
InChIKeyFCPOJZAZTDOQBY-IUODEOHRSA-N
MW342.47 g/mol
LogP1.03
Rot. Bonds5

About N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide

N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide (PubChem CID 124702095) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide
PubChem CID124702095
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide
SMILESNC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cnn(C2CCOCC2)c1
InChIInChI=1S/C15H26N4O3S/c16-9-12-3-1-2-4-15(12)18-23(20,21)14-10-17-19(11-14)13-5-7-22-8-6-13/h10-13,15,18H,1-9,16H2/t12-,15-/m1/s1
InChIKeyFCPOJZAZTDOQBY-IUODEOHRSA-N
XLogP1.03
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide (CID 124702095) is N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide is NC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cnn(C2CCOCC2)c1.
What is the InChIKey of N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide?
The InChIKey is FCPOJZAZTDOQBY-IUODEOHRSA-N. The full InChI is InChI=1S/C15H26N4O3S/c16-9-12-3-1-2-4-15(12)18-23(20,21)14-10-17-19(11-14)13-5-7-22-8-6-13/h10-13,15,18H,1-9,16H2/t12-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide?
N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide has a molecular weight of 342.47 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 124702095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).