N-methyl-3-piperidin-4-ylsulfonylaniline

C12H18N2O2S — CID 139989076

IUPACN-methyl-3-piperidin-4-ylsulfonylaniline
SMILESCNc1cccc(S(=O)(=O)C2CCNCC2)c1
InChIInChI=1S/C12H18N2O2S/c1-13-10-3-2-4-12(9-10)17(15,16)11-5-7-14-8-6-11/h2-4,9,11,13-14H,5-8H2,1H3
InChIKeyZXHBDOISRBYRAG-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.25
Rot. Bonds3

About N-methyl-3-piperidin-4-ylsulfonylaniline

N-methyl-3-piperidin-4-ylsulfonylaniline (PubChem CID 139989076) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-methyl-3-piperidin-4-ylsulfonylaniline.

Molecular Properties

Compound NameN-methyl-3-piperidin-4-ylsulfonylaniline
PubChem CID139989076
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-methyl-3-piperidin-4-ylsulfonylaniline
SMILESCNc1cccc(S(=O)(=O)C2CCNCC2)c1
InChIInChI=1S/C12H18N2O2S/c1-13-10-3-2-4-12(9-10)17(15,16)11-5-7-14-8-6-11/h2-4,9,11,13-14H,5-8H2,1H3
InChIKeyZXHBDOISRBYRAG-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(Methylsulfonyl)phenyl]-4-propylpiperazine
CID 11529282
3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 589052
4-(4-Benzenesulfonylphenyl)piperazine
CID 5113605
4-(3-Benzenesulfonylphenyl)piperazine
CID 9948345
1-(4-(Methylsulfonyl)phenyl)piperazine
CID 735904
Thiol-aryl sulfone, 13
CID 25138253
Thiol-aryl sulfone, 16
CID 25138254
4-(2-Benzenesulfonylphenyl)piperazine
CID 11849201
N-methyl-2-(phenylsulfonyl)aniline
CID 10658135
4-[4-(Methylamino)phenyl]sulfonylaniline
CID 504062
N-Methyl-2-(methylsulfonyl)benzenamine
CID 14196351
3,4-dihydro-2H-1lambda4,4-benzothiazin-1-one
CID 16227383

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperidin-4-ylsulfonylaniline?
The IUPAC name of N-methyl-3-piperidin-4-ylsulfonylaniline (CID 139989076) is N-methyl-3-piperidin-4-ylsulfonylaniline.
What is the SMILES notation for N-methyl-3-piperidin-4-ylsulfonylaniline?
The canonical SMILES for N-methyl-3-piperidin-4-ylsulfonylaniline is CNc1cccc(S(=O)(=O)C2CCNCC2)c1.
What is the InChIKey of N-methyl-3-piperidin-4-ylsulfonylaniline?
The InChIKey is ZXHBDOISRBYRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-13-10-3-2-4-12(9-10)17(15,16)11-5-7-14-8-6-11/h2-4,9,11,13-14H,5-8H2,1H3.
What are the key properties of N-methyl-3-piperidin-4-ylsulfonylaniline?
N-methyl-3-piperidin-4-ylsulfonylaniline has a molecular weight of 254.35 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperidin-4-ylsulfonylaniline is sourced from PubChem (CID 139989076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).