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

C15H29N3O4S — CID 94031283

IUPACN-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide
SMILESC[C@H]1CCCC[C@H]1OCCNC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H29N3O4S/c1-13-5-3-4-6-14(13)22-12-7-16-15(19)17-8-10-18(11-9-17)23(2,20)21/h13-14H,3-12H2,1-2H3,(H,16,19)/t13-,14+/m0/s1
InChIKeyYMMBIOWLXYJCES-UONOGXRCSA-N
MW347.48 g/mol
LogP0.87
Rot. Bonds5

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

N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide (PubChem CID 94031283) 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]-4-methylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide
PubChem CID94031283
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC NameN-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide
SMILESC[C@H]1CCCC[C@H]1OCCNC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H29N3O4S/c1-13-5-3-4-6-14(13)22-12-7-16-15(19)17-8-10-18(11-9-17)23(2,20)21/h13-14H,3-12H2,1-2H3,(H,16,19)/t13-,14+/m0/s1
InChIKeyYMMBIOWLXYJCES-UONOGXRCSA-N
XLogP0.87
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 50.87
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

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]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 95573046
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1,4-thiazepane-4-carboxamide
CID 96555189
4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(2-methylcyclohexyl)oxyethyl]piperazine-1-carboxamide
CID 55809091
(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94122097
(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
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 94824406
N-(cyclopentylmethyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 47253167
N'-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 119131756
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide
CID 110921438

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide (CID 94031283) is N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide is C[C@H]1CCCC[C@H]1OCCNC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide?
The InChIKey is YMMBIOWLXYJCES-UONOGXRCSA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-13-5-3-4-6-14(13)22-12-7-16-15(19)17-8-10-18(11-9-17)23(2,20)21/h13-14H,3-12H2,1-2H3,(H,16,19)/t13-,14+/m0/s1.
What are the key properties of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide?
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 94031283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).