N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline

C16H26N2O2S — CID 63629751

IUPACN-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccc(NCCC2CCCNC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-2-12-21(19,20)16-7-5-15(6-8-16)18-11-9-14-4-3-10-17-13-14/h5-8,14,17-18H,2-4,9-13H2,1H3
InChIKeyISBVJDDNJNZSFP-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.67
Rot. Bonds7

About N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline

N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline (PubChem CID 63629751) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline
PubChem CID63629751
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccc(NCCC2CCCNC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-2-12-21(19,20)16-7-5-15(6-8-16)18-11-9-14-4-3-10-17-13-14/h5-8,14,17-18H,2-4,9-13H2,1H3
InChIKeyISBVJDDNJNZSFP-UHFFFAOYSA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 104973347
N-(2-piperidin-3-ylethyl)-4-propylaniline
CID 115211247
4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211278
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide;hydrochloride
CID 119979578
N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
CID 63642004
3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline
CID 115211260
N-butyl-4-propylsulfonylaniline
CID 43453437
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
3-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248226
4-(2-cyclohexylethylamino)-N-ethylbenzenesulfonamide
CID 60920186

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline?
The IUPAC name of N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline (CID 63629751) is N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline is CCCS(=O)(=O)c1ccc(NCCC2CCCNC2)cc1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline?
The InChIKey is ISBVJDDNJNZSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-2-12-21(19,20)16-7-5-15(6-8-16)18-11-9-14-4-3-10-17-13-14/h5-8,14,17-18H,2-4,9-13H2,1H3.
What are the key properties of N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline?
N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline has a molecular weight of 310.46 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline is sourced from PubChem (CID 63629751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).