N-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide

C12H23N3O3S — CID 119051544

IUPACN-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESCC[C@@H]1C[C@H]1NC(=O)N1CCC(CS(N)(=O)=O)CC1
InChIInChI=1S/C12H23N3O3S/c1-2-10-7-11(10)14-12(16)15-5-3-9(4-6-15)8-19(13,17)18/h9-11H,2-8H2,1H3,(H,14,16)(H2,13,17,18)/t10-,11-/m1/s1
InChIKeyGOENATVWBPEREZ-GHMZBOCLSA-N
MW289.40 g/mol
LogP0.50
Rot. Bonds4

About N-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide

N-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide (PubChem CID 119051544) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
PubChem CID119051544
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESCC[C@@H]1C[C@H]1NC(=O)N1CCC(CS(N)(=O)=O)CC1
InChIInChI=1S/C12H23N3O3S/c1-2-10-7-11(10)14-12(16)15-5-3-9(4-6-15)8-19(13,17)18/h9-11H,2-8H2,1H3,(H,14,16)(H2,13,17,18)/t10-,11-/m1/s1
InChIKeyGOENATVWBPEREZ-GHMZBOCLSA-N
XLogP0.50
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide (CID 119051544) is N-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide is CC[C@@H]1C[C@H]1NC(=O)N1CCC(CS(N)(=O)=O)CC1.
What is the InChIKey of N-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
The InChIKey is GOENATVWBPEREZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-2-10-7-11(10)14-12(16)15-5-3-9(4-6-15)8-19(13,17)18/h9-11H,2-8H2,1H3,(H,14,16)(H2,13,17,18)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
N-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 119051544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).