ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide

C12H26N2O3S — CID 163233842

IUPACethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC.CCC1(C(=O)NC)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O3S.C2H6/c1-4-10(9(13)11-2)5-7-12(8-6-10)16(3,14)15;1-2/h4-8H2,1-3H3,(H,11,13);1-2H3
InChIKeyBUKNXXIBABHDBH-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.21
Rot. Bonds3

About ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide

ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 163233842) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Nameethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID163233842
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Nameethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC.CCC1(C(=O)NC)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O3S.C2H6/c1-4-10(9(13)11-2)5-7-12(8-6-10)16(3,14)15;1-2/h4-8H2,1-3H3,(H,11,13);1-2H3
InChIKeyBUKNXXIBABHDBH-UHFFFAOYSA-N
XLogP1.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid
CID 71118297
N-methyl-4-methylsulfanyl-1-methylsulfonylpiperidin-4-amine
CID 170053686
(4-methyl-1-methylsulfonylpiperidin-4-yl)methanol
CID 58959839
4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol
CID 130490728
N,N-dimethyl-4-(methylamino)-1-methylsulfonylpiperidine-4-carboxamide
CID 163234396
4-ethyl-1-methylpiperidine-4-carbohydrazide
CID 116844617
N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115764707
4-amino-1-methylsulfonylpiperidine-4-carboxylic acid
CID 130490742
(3aR,6aR)-2-acetyl-N-methyl-1'-methylsulfonylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CID 124801264
1-(2-chloroethylsulfonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321277
4-ethyl-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-4-carboxylic acid
CID 63125441
1-O-tert-butyl 4-O-methylsulfonyl 4-ethylpiperidine-1,4-dicarboxylate
CID 87223860

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide (CID 163233842) is ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide is CC.CCC1(C(=O)NC)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is BUKNXXIBABHDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S.C2H6/c1-4-10(9(13)11-2)5-7-12(8-6-10)16(3,14)15;1-2/h4-8H2,1-3H3,(H,11,13);1-2H3.
What are the key properties of ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 163233842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).