2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide

C15H26N4O2S — CID 68822874

IUPAC2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide
SMILESCC(C)N1CCC(N(c2ccccn2)S(=O)(=O)CCN)CC1
InChIInChI=1S/C15H26N4O2S/c1-13(2)18-10-6-14(7-11-18)19(22(20,21)12-8-16)15-5-3-4-9-17-15/h3-5,9,13-14H,6-8,10-12,16H2,1-2H3
InChIKeyDOYCSJRMDOTPMP-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.05
Rot. Bonds6

About 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide

2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide (PubChem CID 68822874) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide
PubChem CID68822874
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide
SMILESCC(C)N1CCC(N(c2ccccn2)S(=O)(=O)CCN)CC1
InChIInChI=1S/C15H26N4O2S/c1-13(2)18-10-6-14(7-11-18)19(22(20,21)12-8-16)15-5-3-4-9-17-15/h3-5,9,13-14H,6-8,10-12,16H2,1-2H3
InChIKeyDOYCSJRMDOTPMP-UHFFFAOYSA-N
XLogP1.05
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-phenyl-N-pyridin-2-ylpropane-1-sulfonamide
CID 110723182
N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide
CID 110723172
2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide
CID 23339034
3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine
CID 63225574
2-aminoethanesulfonic acid;N-methyl-1-propan-2-ylpiperidin-4-amine
CID 87696538
3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 119842319
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529
N-(2-methylpropyl)-4-[methyl(pyridin-2-yl)amino]piperidine-1-carboxamide
CID 155977335
ethyl 4-[methyl(pyridin-2-yl)amino]cyclohexane-1-carboxylate
CID 115149187
N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide
CID 102692083
N-cyclopropyl-N-methylpyridin-2-amine;hydrochloride
CID 69197423
N-cyclopropyl-3,5-dimethyl-N-pyridin-2-yl-1,2-oxazole-4-sulfonamide
CID 110723188

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide?
The IUPAC name of 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide (CID 68822874) is 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide?
The canonical SMILES for 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide is CC(C)N1CCC(N(c2ccccn2)S(=O)(=O)CCN)CC1.
What is the InChIKey of 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide?
The InChIKey is DOYCSJRMDOTPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-13(2)18-10-6-14(7-11-18)19(22(20,21)12-8-16)15-5-3-4-9-17-15/h3-5,9,13-14H,6-8,10-12,16H2,1-2H3.
What are the key properties of 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide?
2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide has a molecular weight of 326.47 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 68822874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).