5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline

C13H20N2O2S — CID 86323809

IUPAC5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline
SMILESC[C@@H]1CCCCN1c1ccc(S(C)(=O)=O)c(N)c1
InChIInChI=1S/C13H20N2O2S/c1-10-5-3-4-8-15(10)11-6-7-13(12(14)9-11)18(2,16)17/h6-7,9-10H,3-5,8,14H2,1-2H3/t10-/m1/s1
InChIKeyWZZSJDMAVNHRCW-SNVBAGLBSA-N
MW268.38 g/mol
LogP2.05
Rot. Bonds2

About 5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline

5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline (PubChem CID 86323809) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline.

Molecular Properties

Compound Name5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline
PubChem CID86323809
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline
SMILESC[C@@H]1CCCCN1c1ccc(S(C)(=O)=O)c(N)c1
InChIInChI=1S/C13H20N2O2S/c1-10-5-3-4-8-15(10)11-6-7-13(12(14)9-11)18(2,16)17/h6-7,9-10H,3-5,8,14H2,1-2H3/t10-/m1/s1
InChIKeyWZZSJDMAVNHRCW-SNVBAGLBSA-N
XLogP2.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline
CID 53410173
4-(2-methylazepan-1-yl)benzene-1,2-diamine
CID 106750861
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883
4-[(2S)-2-methylpiperidin-1-yl]-2-(trifluoromethyl)aniline
CID 30048695
2-methylsulfonyl-5-piperazin-1-ylaniline
CID 86607660
4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline
CID 83002820
5-(2-methylpiperidin-1-yl)pyridin-2-amine
CID 43188334
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide
CID 80641981
[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 169489236
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide
CID 99965906
3-amino-4-(2-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 81470807
1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone
CID 43176941

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline?
The IUPAC name of 5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline (CID 86323809) is 5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline.
What is the SMILES notation for 5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline?
The canonical SMILES for 5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline is C[C@@H]1CCCCN1c1ccc(S(C)(=O)=O)c(N)c1.
What is the InChIKey of 5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline?
The InChIKey is WZZSJDMAVNHRCW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-5-3-4-8-15(10)11-6-7-13(12(14)9-11)18(2,16)17/h6-7,9-10H,3-5,8,14H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline?
5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline has a molecular weight of 268.38 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline is sourced from PubChem (CID 86323809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).