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

C13H25N3O3S — CID 60962768

IUPACN-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-2-20(18,19)15-12-5-8-16(9-6-12)13(17)11-4-3-7-14-10-11/h11-12,14-15H,2-10H2,1H3
InChIKeyRXCBJBVKHJKCGI-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.08
Rot. Bonds4

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

N-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 60962768) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide
PubChem CID60962768
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-2-20(18,19)15-12-5-8-16(9-6-12)13(17)11-4-3-7-14-10-11/h11-12,14-15H,2-10H2,1H3
InChIKeyRXCBJBVKHJKCGI-UHFFFAOYSA-N
XLogP-0.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(piperidine-3-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 119294516
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
N-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 81129562
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
N-[1-(piperidine-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;hydrochloride
CID 119278114
piperidin-3-yl-(3-propylpyrrolidin-1-yl)methanone
CID 115734206
[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 54874476
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119293377
4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide
CID 81129268
4-(piperidine-3-carbonyl)piperazine-1-sulfonamide
CID 54916601

Frequently Asked Questions

What is the IUPAC name of N-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide (CID 60962768) is N-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)C2CCCNC2)CC1.
What is the InChIKey of N-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is RXCBJBVKHJKCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-2-20(18,19)15-12-5-8-16(9-6-12)13(17)11-4-3-7-14-10-11/h11-12,14-15H,2-10H2,1H3.
What are the key properties of N-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide?
N-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 303.43 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 60962768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).