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

C16H30N2O4S — CID 94026393

IUPAC(2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESC[C@@H]1CCCC[C@H]1OCCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C16H30N2O4S/c1-13-7-3-4-9-15(13)22-12-10-17-16(19)14-8-5-6-11-18(14)23(2,20)21/h13-15H,3-12H2,1-2H3,(H,17,19)/t13-,14+,15-/m1/s1
InChIKeyAXFFIYZNNIIAAD-QLFBSQMISA-N
MW346.49 g/mol
LogP1.51
Rot. Bonds6

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

(2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 94026393) has the molecular formula C16H30N2O4S and a molecular weight of 346.49 g/mol. Its IUPAC name is (2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID94026393
Molecular FormulaC16H30N2O4S
Molecular Weight346.49 g/mol
Exact Mass346.19
IUPAC Name(2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESC[C@@H]1CCCC[C@H]1OCCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C16H30N2O4S/c1-13-7-3-4-9-15(13)22-12-10-17-16(19)14-8-5-6-11-18(14)23(2,20)21/h13-15H,3-12H2,1-2H3,(H,17,19)/t13-,14+,15-/m1/s1
InChIKeyAXFFIYZNNIIAAD-QLFBSQMISA-N
XLogP1.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124805895
(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94122097
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 94824406
(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94106905
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94031283
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657660
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657662
4-[2-(2-methylcyclohexyl)oxyethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672702
(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 33249875
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide
CID 119723094
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94808986

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 94026393) is (2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide is C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O.
What is the InChIKey of (2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is AXFFIYZNNIIAAD-QLFBSQMISA-N. The full InChI is InChI=1S/C16H30N2O4S/c1-13-7-3-4-9-15(13)22-12-10-17-16(19)14-8-5-6-11-18(14)23(2,20)21/h13-15H,3-12H2,1-2H3,(H,17,19)/t13-,14+,15-/m1/s1.
What are the key properties of (2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide?
(2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 346.49 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 94026393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).