4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide

C16H26N4O4S — CID 91773150

IUPAC4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)CC1
InChIInChI=1S/C16H26N4O4S/c1-19-7-9-20(10-8-19)25(21,22)18-15-5-11-23-13-16(15)24-12-14-4-2-3-6-17-14/h2-4,6,15-16,18H,5,7-13H2,1H3/t15-,16-/m1/s1
InChIKeyKIBKUKOVEFVFTN-HZPDHXFCSA-N
MW370.48 g/mol
LogP-0.16
Rot. Bonds6

About 4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide

4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide (PubChem CID 91773150) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide
PubChem CID91773150
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)CC1
InChIInChI=1S/C16H26N4O4S/c1-19-7-9-20(10-8-19)25(21,22)18-15-5-11-23-13-16(15)24-12-14-4-2-3-6-17-14/h2-4,6,15-16,18H,5,7-13H2,1H3/t15-,16-/m1/s1
InChIKeyKIBKUKOVEFVFTN-HZPDHXFCSA-N
XLogP-0.16
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide with MolForge

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Related Compounds

2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91767025
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
CID 91759680
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91771200
3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide
CID 91779690
3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide
CID 91766286
3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide
CID 91764386
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinoxalin-2-amine
CID 91787366
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine
CID 91771429
2-ethoxy-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyridine-3-carboxamide
CID 91764796
2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91782411
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91777996
(4aS,7S,7aR)-4-methylsulfonyl-7-(pyridin-2-ylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97366052

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide?
The IUPAC name of 4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide (CID 91773150) is 4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide is CN1CCN(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)CC1.
What is the InChIKey of 4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide?
The InChIKey is KIBKUKOVEFVFTN-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-19-7-9-20(10-8-19)25(21,22)18-15-5-11-23-13-16(15)24-12-14-4-2-3-6-17-14/h2-4,6,15-16,18H,5,7-13H2,1H3/t15-,16-/m1/s1.
What are the key properties of 4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide?
4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide has a molecular weight of 370.48 g/mol, XLogP of -0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]piperazine-1-sulfonamide is sourced from PubChem (CID 91773150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).