(1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide

C13H21N3O2S — CID 97162035

IUPAC(1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide
SMILESC[C@@H](c1ccccn1)S(=O)(=O)N(C)[C@@H]1CCCNC1
InChIInChI=1S/C13H21N3O2S/c1-11(13-7-3-4-9-15-13)19(17,18)16(2)12-6-5-8-14-10-12/h3-4,7,9,11-12,14H,5-6,8,10H2,1-2H3/t11-,12+/m0/s1
InChIKeyRWKIOEQKWLEZOA-NWDGAFQWSA-N
MW283.40 g/mol
LogP1.16
Rot. Bonds4

About (1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide

(1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide (PubChem CID 97162035) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is (1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound Name(1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide
PubChem CID97162035
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name(1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide
SMILESC[C@@H](c1ccccn1)S(=O)(=O)N(C)[C@@H]1CCCNC1
InChIInChI=1S/C13H21N3O2S/c1-11(13-7-3-4-9-15-13)19(17,18)16(2)12-6-5-8-14-10-12/h3-4,7,9,11-12,14H,5-6,8,10H2,1-2H3/t11-,12+/m0/s1
InChIKeyRWKIOEQKWLEZOA-NWDGAFQWSA-N
XLogP1.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-piperidin-3-yl-1-pyridin-2-ylethanesulfonamide
CID 71637418
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637504
N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride
CID 71637453
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
CID 71637515
(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 97162039
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
(3S)-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637655
(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637625
2-[1-[(3R)-piperidin-3-yl]oxyethyl]pyridine;hydrochloride
CID 71637869
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71641585
(2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine
CID 129372961
N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 86329926

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide?
The IUPAC name of (1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide (CID 97162035) is (1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for (1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide?
The canonical SMILES for (1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide is C[C@@H](c1ccccn1)S(=O)(=O)N(C)[C@@H]1CCCNC1.
What is the InChIKey of (1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide?
The InChIKey is RWKIOEQKWLEZOA-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-11(13-7-3-4-9-15-13)19(17,18)16(2)12-6-5-8-14-10-12/h3-4,7,9,11-12,14H,5-6,8,10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide?
(1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 97162035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).