N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide

C10H21N3O3S — CID 59703859

IUPACN,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CN(CC)CCN1S(C)(=O)=O
InChIInChI=1S/C10H21N3O3S/c1-4-11-10(14)9-8-12(5-2)6-7-13(9)17(3,15)16/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyUJFSOHDLNUZQQW-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.91
Rot. Bonds4

About N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide

N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide (PubChem CID 59703859) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide
PubChem CID59703859
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CN(CC)CCN1S(C)(=O)=O
InChIInChI=1S/C10H21N3O3S/c1-4-11-10(14)9-8-12(5-2)6-7-13(9)17(3,15)16/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyUJFSOHDLNUZQQW-UHFFFAOYSA-N
XLogP-0.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-diethyl-4-methylsulfonylpiperazine-1,3-dicarboxamide
CID 59703764
(2R)-4-ethyl-2-methyl-1-methylsulfonylpiperazine
CID 134383274
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 86823860
(2R)-N,4-diethylpiperazine-2-carboxamide
CID 129406031
N,4-diethylpiperazine-2-carboxamide
CID 53431411
(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 66936572
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
2-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 65218125
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124831536
1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide
CID 122647169
N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 102915113
N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128586

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide?
The IUPAC name of N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide (CID 59703859) is N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide is CCNC(=O)C1CN(CC)CCN1S(C)(=O)=O.
What is the InChIKey of N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide?
The InChIKey is UJFSOHDLNUZQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-4-11-10(14)9-8-12(5-2)6-7-13(9)17(3,15)16/h9H,4-8H2,1-3H3,(H,11,14).
What are the key properties of N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide?
N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide has a molecular weight of 263.36 g/mol, XLogP of -0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 59703859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).