4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide

C16H20N4O3S — CID 136538713

IUPAC4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NCc2ccc3ncccc3c2)CC1
InChIInChI=1S/C16H20N4O3S/c1-24(22,23)20-9-7-19(8-10-20)16(21)18-12-13-4-5-15-14(11-13)3-2-6-17-15/h2-6,11H,7-10,12H2,1H3,(H,18,21)
InChIKeyFJDCUYJLFFTATL-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.02
Rot. Bonds3

About 4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide

4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide (PubChem CID 136538713) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
PubChem CID136538713
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NCc2ccc3ncccc3c2)CC1
InChIInChI=1S/C16H20N4O3S/c1-24(22,23)20-9-7-19(8-10-20)16(21)18-12-13-4-5-15-14(11-13)3-2-6-17-15/h2-6,11H,7-10,12H2,1H3,(H,18,21)
InChIKeyFJDCUYJLFFTATL-UHFFFAOYSA-N
XLogP1.02
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 51084629
4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
(2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
CID 128810991
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
N-[(3-fluoro-4-methylphenyl)methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 30886387
1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide
CID 118792538
1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea
CID 99840657
N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide
CID 43546001
4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
CID 118666820
2-methyl-N-(quinolin-6-ylmethyl)benzamide
CID 110472091
N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 139005364
3-[[[4-(quinolin-3-ylmethyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 174534854

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide (CID 136538713) is 4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide is CS(=O)(=O)N1CCN(C(=O)NCc2ccc3ncccc3c2)CC1.
What is the InChIKey of 4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide?
The InChIKey is FJDCUYJLFFTATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-24(22,23)20-9-7-19(8-10-20)16(21)18-12-13-4-5-15-14(11-13)3-2-6-17-15/h2-6,11H,7-10,12H2,1H3,(H,18,21).
What are the key properties of 4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide?
4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 136538713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).