N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide

C13H20N4O3S — CID 104741726

IUPACN-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)c2ncccc2N)CC1
InChIInChI=1S/C13H20N4O3S/c1-2-21(19,20)16-10-5-8-17(9-6-10)13(18)12-11(14)4-3-7-15-12/h3-4,7,10,16H,2,5-6,8-9,14H2,1H3
InChIKeyYIWNRAIRVNBAEJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.21
Rot. Bonds4

About N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide

N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 104741726) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
PubChem CID104741726
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC NameN-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)c2ncccc2N)CC1
InChIInChI=1S/C13H20N4O3S/c1-2-21(19,20)16-10-5-8-17(9-6-10)13(18)12-11(14)4-3-7-15-12/h3-4,7,10,16H,2,5-6,8-9,14H2,1H3
InChIKeyYIWNRAIRVNBAEJ-UHFFFAOYSA-N
XLogP0.21
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736180
(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 104742169
N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119944714
2-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 104741733
(3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 104742285
N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 107518487
(3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol
CID 143724925
N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 65359684
(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 104742473
N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60767390
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 108563505

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide (CID 104741726) is N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)c2ncccc2N)CC1.
What is the InChIKey of N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is YIWNRAIRVNBAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-2-21(19,20)16-10-5-8-17(9-6-10)13(18)12-11(14)4-3-7-15-12/h3-4,7,10,16H,2,5-6,8-9,14H2,1H3.
What are the key properties of N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide?
N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 104741726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).