N-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine

C20H33N3O3S — CID 91916281

IUPACN-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine
SMILESCC(C)CCN(C1CCOCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-17(2)5-13-23(19-8-14-26-15-9-19)18-6-11-22(12-7-18)27(24,25)20-4-3-10-21-16-20/h3-4,10,16-19H,5-9,11-15H2,1-2H3
InChIKeyATQGEEZWRLYNQJ-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.76
Rot. Bonds7

About N-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine

N-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine (PubChem CID 91916281) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine
PubChem CID91916281
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine
SMILESCC(C)CCN(C1CCOCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-17(2)5-13-23(19-8-14-26-15-9-19)18-6-11-22(12-7-18)27(24,25)20-4-3-10-21-16-20/h3-4,10,16-19H,5-9,11-15H2,1-2H3
InChIKeyATQGEEZWRLYNQJ-UHFFFAOYSA-N
XLogP2.76
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Methylpiperidino)-[1-(3-pyridylsulfonyl)-4-piperidyl]methanone
CID 9551062
4-{[4-(4-Isopropyl-1-piperazinyl)-3-pyridinyl]sulfonyl}morpholine
CID 1214518
4-Methyl-1'-(pyridin-3-ylsulfonyl)-1,4'-bipiperidine
CID 118308386
1'-((6-Chloropyridin-3-yl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308397
3-(Morpholinosulfonyl)pyridine
CID 4276436
1'-((2-Chloropyridin-3-yl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308409
1'-((2-Fluoropyridin-3-yl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308429
4-{[4-(4-Allyl-1-piperazinyl)-3-pyridinyl]sulfonyl}morpholine
CID 1214513
4-{2-[1-(3-Pyridinylsulfonyl)-2-piperidinyl]ethyl}morpholine
CID 70720389
N-(Oxan-4-YL)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 71796153
1-(Phenylsulfonyl)-4-{[1-(3-pyridylmethyl)-4-piperidyl]oxy}piperidine
CID 91906236
(3aR,6aR)-3a-(morpholin-4-ylmethyl)-5-pyridin-3-ylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97420503

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine?
The IUPAC name of N-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine (CID 91916281) is N-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine is CC(C)CCN(C1CCOCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine?
The InChIKey is ATQGEEZWRLYNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-17(2)5-13-23(19-8-14-26-15-9-19)18-6-11-22(12-7-18)27(24,25)20-4-3-10-21-16-20/h3-4,10,16-19H,5-9,11-15H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine?
N-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine has a molecular weight of 395.57 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-(oxan-4-yl)-1-pyridin-3-ylsulfonylpiperidin-4-amine is sourced from PubChem (CID 91916281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).