N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide

C17H25N3O2S — CID 138047369

IUPACN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccn2)CC1)C1CC12CCC2
InChIInChI=1S/C17H25N3O2S/c21-23(22,16-12-17(16)7-3-8-17)19-14-5-10-20(11-6-14)13-15-4-1-2-9-18-15/h1-2,4,9,14,16,19H,3,5-8,10-13H2
InChIKeyPBGWKHXLPZDSRX-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.91
Rot. Bonds5

About N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide (PubChem CID 138047369) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide
PubChem CID138047369
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccn2)CC1)C1CC12CCC2
InChIInChI=1S/C17H25N3O2S/c21-23(22,16-12-17(16)7-3-8-17)19-14-5-10-20(11-6-14)13-15-4-1-2-9-18-15/h1-2,4,9,14,16,19H,3,5-8,10-13H2
InChIKeyPBGWKHXLPZDSRX-UHFFFAOYSA-N
XLogP1.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane
CID 70787701
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56504110
2-(cyclopropylmethylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 119901369
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 134017693

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide?
The IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide (CID 138047369) is N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide.
What is the SMILES notation for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide?
The canonical SMILES for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide is O=S(=O)(NC1CCN(Cc2ccccn2)CC1)C1CC12CCC2.
What is the InChIKey of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide?
The InChIKey is PBGWKHXLPZDSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-23(22,16-12-17(16)7-3-8-17)19-14-5-10-20(11-6-14)13-15-4-1-2-9-18-15/h1-2,4,9,14,16,19H,3,5-8,10-13H2.
What are the key properties of N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide?
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide has a molecular weight of 335.47 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]spiro[2.3]hexane-2-sulfonamide is sourced from PubChem (CID 138047369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).