N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine

C20H32N4O3S — CID 133305299

IUPACN-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NC2CCN(CC3CCOC3)CC2)nc1)N1CCCCC1
InChIInChI=1S/C20H32N4O3S/c25-28(26,24-9-2-1-3-10-24)19-4-5-20(21-14-19)22-18-6-11-23(12-7-18)15-17-8-13-27-16-17/h4-5,14,17-18H,1-3,6-13,15-16H2,(H,21,22)
InChIKeyDVOIESYPFGCLML-UHFFFAOYSA-N
MW408.57 g/mol
LogP2.17
Rot. Bonds6

About N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine

N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133305299) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID133305299
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC NameN-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NC2CCN(CC3CCOC3)CC2)nc1)N1CCCCC1
InChIInChI=1S/C20H32N4O3S/c25-28(26,24-9-2-1-3-10-24)19-4-5-20(21-14-19)22-18-6-11-23(12-7-18)15-17-8-13-27-16-17/h4-5,14,17-18H,1-3,6-13,15-16H2,(H,21,22)
InChIKeyDVOIESYPFGCLML-UHFFFAOYSA-N
XLogP2.17
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine with MolForge

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Related Compounds

N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133277663
5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
CID 133305273
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
N-cyclopent-3-en-1-yl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133362074
2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376514
4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
CID 124886630
N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 60503346
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
N-cyclohex-3-en-1-yl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133322670
4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide
CID 55659470
5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 55519421
5-piperidin-1-ylsulfonyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine
CID 127767110

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine (CID 133305299) is N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NC2CCN(CC3CCOC3)CC2)nc1)N1CCCCC1.
What is the InChIKey of N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is DVOIESYPFGCLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S/c25-28(26,24-9-2-1-3-10-24)19-4-5-20(21-14-19)22-18-6-11-23(12-7-18)15-17-8-13-27-16-17/h4-5,14,17-18H,1-3,6-13,15-16H2,(H,21,22).
What are the key properties of N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine?
N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 408.57 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133305299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).