(1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide

C11H18N4O2S — CID 97162097

IUPAC(1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide
SMILESC[C@@H](c1cnccn1)S(=O)(=O)N[C@H]1CCCNC1
InChIInChI=1S/C11H18N4O2S/c1-9(11-8-13-5-6-14-11)18(16,17)15-10-3-2-4-12-7-10/h5-6,8-10,12,15H,2-4,7H2,1H3/t9-,10-/m0/s1
InChIKeyXNUFQEPYCLVRBB-UWVGGRQHSA-N
MW270.36 g/mol
LogP0.21
Rot. Bonds4

About (1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide

(1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide (PubChem CID 97162097) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is (1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide.

Molecular Properties

Compound Name(1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide
PubChem CID97162097
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name(1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide
SMILESC[C@@H](c1cnccn1)S(=O)(=O)N[C@H]1CCCNC1
InChIInChI=1S/C11H18N4O2S/c1-9(11-8-13-5-6-14-11)18(16,17)15-10-3-2-4-12-7-10/h5-6,8-10,12,15H,2-4,7H2,1H3/t9-,10-/m0/s1
InChIKeyXNUFQEPYCLVRBB-UWVGGRQHSA-N
XLogP0.21
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrazin-2-yl-N-pyrrolidin-3-ylethanesulfonamide;hydrochloride
CID 71637485
(1S)-N-piperidin-4-yl-1-pyrazin-2-ylethanesulfonamide
CID 97162099
(3R)-N-[(1S)-1-pyrazin-2-ylethyl]piperidin-3-amine
CID 97162191
(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 97162039
(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide
CID 97162101
N-propan-2-yl-1-pyrazin-2-ylethanesulfonamide
CID 71633121
(3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine
CID 71637669
2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine
CID 71637480
(3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
CID 71637668
2-[fluoro(piperidin-3-yl)methyl]pyrazine
CID 112565423
2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid
CID 104982569
(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid
CID 97162093

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide?
The IUPAC name of (1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide (CID 97162097) is (1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide.
What is the SMILES notation for (1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide?
The canonical SMILES for (1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide is C[C@@H](c1cnccn1)S(=O)(=O)N[C@H]1CCCNC1.
What is the InChIKey of (1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide?
The InChIKey is XNUFQEPYCLVRBB-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-9(11-8-13-5-6-14-11)18(16,17)15-10-3-2-4-12-7-10/h5-6,8-10,12,15H,2-4,7H2,1H3/t9-,10-/m0/s1.
What are the key properties of (1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide?
(1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide has a molecular weight of 270.36 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 (1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide is sourced from PubChem (CID 97162097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).