2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol

C20H32N4O3S — CID 133376514

IUPAC2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
SMILESO=S(=O)(c1ccc(NC2CCN(C3CCCCC3O)CC2)nc1)N1CCCC1
InChIInChI=1S/C20H32N4O3S/c25-19-6-2-1-5-18(19)23-13-9-16(10-14-23)22-20-8-7-17(15-21-20)28(26,27)24-11-3-4-12-24/h7-8,15-16,18-19,25H,1-6,9-14H2,(H,21,22)
InChIKeyVVPJUNOFTOWPOG-UHFFFAOYSA-N
MW408.57 g/mol
LogP2.05
Rot. Bonds5

About 2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol

2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 133376514) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
PubChem CID133376514
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
SMILESO=S(=O)(c1ccc(NC2CCN(C3CCCCC3O)CC2)nc1)N1CCCC1
InChIInChI=1S/C20H32N4O3S/c25-19-6-2-1-5-18(19)23-13-9-16(10-14-23)22-20-8-7-17(15-21-20)28(26,27)24-11-3-4-12-24/h7-8,15-16,18-19,25H,1-6,9-14H2,(H,21,22)
InChIKeyVVPJUNOFTOWPOG-UHFFFAOYSA-N
XLogP2.05
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

N-cyclopent-3-en-1-yl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133362074
5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 55519421
N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133277663
N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133305299
2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol
CID 133384817
N-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281602
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133308701
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
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 2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol (CID 133376514) is 2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol is O=S(=O)(c1ccc(NC2CCN(C3CCCCC3O)CC2)nc1)N1CCCC1.
What is the InChIKey of 2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is VVPJUNOFTOWPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S/c25-19-6-2-1-5-18(19)23-13-9-16(10-14-23)22-20-8-7-17(15-21-20)28(26,27)24-11-3-4-12-24/h7-8,15-16,18-19,25H,1-6,9-14H2,(H,21,22).
What are the key properties of 2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol?
2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 408.57 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 133376514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).