4-(1-methylpiperidin-4-yl)sulfinylaniline

C12H18N2OS — CID 118608343

IUPAC4-(1-methylpiperidin-4-yl)sulfinylaniline
SMILESCN1CCC(S(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C12H18N2OS/c1-14-8-6-12(7-9-14)16(15)11-4-2-10(13)3-5-11/h2-5,12H,6-9,13H2,1H3
InChIKeyOVTDDGGWZYCFPN-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.47
Rot. Bonds2

About 4-(1-methylpiperidin-4-yl)sulfinylaniline

4-(1-methylpiperidin-4-yl)sulfinylaniline (PubChem CID 118608343) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)sulfinylaniline.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)sulfinylaniline
PubChem CID118608343
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-(1-methylpiperidin-4-yl)sulfinylaniline
SMILESCN1CCC(S(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C12H18N2OS/c1-14-8-6-12(7-9-14)16(15)11-4-2-10(13)3-5-11/h2-5,12H,6-9,13H2,1H3
InChIKeyOVTDDGGWZYCFPN-UHFFFAOYSA-N
XLogP1.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)sulfinylaniline?
The IUPAC name of 4-(1-methylpiperidin-4-yl)sulfinylaniline (CID 118608343) is 4-(1-methylpiperidin-4-yl)sulfinylaniline.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)sulfinylaniline?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)sulfinylaniline is CN1CCC(S(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)sulfinylaniline?
The InChIKey is OVTDDGGWZYCFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-14-8-6-12(7-9-14)16(15)11-4-2-10(13)3-5-11/h2-5,12H,6-9,13H2,1H3.
What are the key properties of 4-(1-methylpiperidin-4-yl)sulfinylaniline?
4-(1-methylpiperidin-4-yl)sulfinylaniline has a molecular weight of 238.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)sulfinylaniline is sourced from PubChem (CID 118608343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).