N-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline

C15H24N2O3S — CID 139989154

IUPACN-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline
SMILESCOCCCNc1ccc(S(=O)(=O)C2CCNCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-20-12-2-9-17-13-3-5-14(6-4-13)21(18,19)15-7-10-16-11-8-15/h3-6,15-17H,2,7-12H2,1H3
InChIKeyQVAVOULPGKJMRC-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.66
Rot. Bonds7

About N-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline

N-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline (PubChem CID 139989154) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline
PubChem CID139989154
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline
SMILESCOCCCNc1ccc(S(=O)(=O)C2CCNCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-20-12-2-9-17-13-3-5-14(6-4-13)21(18,19)15-7-10-16-11-8-15/h3-6,15-17H,2,7-12H2,1H3
InChIKeyQVAVOULPGKJMRC-UHFFFAOYSA-N
XLogP1.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline?
The IUPAC name of N-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline (CID 139989154) is N-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline.
What is the SMILES notation for N-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline?
The canonical SMILES for N-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline is COCCCNc1ccc(S(=O)(=O)C2CCNCC2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline?
The InChIKey is QVAVOULPGKJMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-20-12-2-9-17-13-3-5-14(6-4-13)21(18,19)15-7-10-16-11-8-15/h3-6,15-17H,2,7-12H2,1H3.
What are the key properties of N-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline?
N-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline has a molecular weight of 312.44 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-piperidin-4-ylsulfonylaniline is sourced from PubChem (CID 139989154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).