N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide

C15H29N3O4S — CID 94824406

IUPACN-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESC[C@H]1CCCC[C@H]1OCCNC(=O)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C15H29N3O4S/c1-12-4-2-3-5-14(12)22-11-8-17-15(19)13-6-9-18(10-7-13)23(16,20)21/h12-14H,2-11H2,1H3,(H,17,19)(H2,16,20,21)/t12-,14+/m0/s1
InChIKeyUCHABKUPFZLERG-GXTWGEPZSA-N
MW347.48 g/mol
LogP0.61
Rot. Bonds6

About N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide

N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 94824406) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide
PubChem CID94824406
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC NameN-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESC[C@H]1CCCC[C@H]1OCCNC(=O)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C15H29N3O4S/c1-12-4-2-3-5-14(12)22-11-8-17-15(19)13-6-9-18(10-7-13)23(16,20)21/h12-14H,2-11H2,1H3,(H,17,19)(H2,16,20,21)/t12-,14+/m0/s1
InChIKeyUCHABKUPFZLERG-GXTWGEPZSA-N
XLogP0.61
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94122097
4-[2-(2-methylcyclohexyl)oxyethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672702
(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124805895
(2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026393
3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide
CID 119723094
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657660
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657662
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94031283
1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 56796664
N-(2-methoxyethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 5058959
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 95573046
(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide
CID 124606026

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide (CID 94824406) is N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide is C[C@H]1CCCC[C@H]1OCCNC(=O)C1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is UCHABKUPFZLERG-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-12-4-2-3-5-14(12)22-11-8-17-15(19)13-6-9-18(10-7-13)23(16,20)21/h12-14H,2-11H2,1H3,(H,17,19)(H2,16,20,21)/t12-,14+/m0/s1.
What are the key properties of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide?
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 94824406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).