N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide

C13H21NO3S2 — CID 97217900

IUPACN-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide
SMILESC[C@@H](CNS(=O)(=O)C1CCOCC1)Cc1cccs1
InChIInChI=1S/C13H21NO3S2/c1-11(9-12-3-2-8-18-12)10-14-19(15,16)13-4-6-17-7-5-13/h2-3,8,11,13-14H,4-7,9-10H2,1H3/t11-/m1/s1
InChIKeyMZYDVJJYXPQGNR-LLVKDONJSA-N
MW303.45 g/mol
LogP2.03
Rot. Bonds6

About N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide

N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide (PubChem CID 97217900) has the molecular formula C13H21NO3S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide
PubChem CID97217900
Molecular FormulaC13H21NO3S2
Molecular Weight303.45 g/mol
Exact Mass303.10
IUPAC NameN-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide
SMILESC[C@@H](CNS(=O)(=O)C1CCOCC1)Cc1cccs1
InChIInChI=1S/C13H21NO3S2/c1-11(9-12-3-2-8-18-12)10-14-19(15,16)13-4-6-17-7-5-13/h2-3,8,11,13-14H,4-7,9-10H2,1H3/t11-/m1/s1
InChIKeyMZYDVJJYXPQGNR-LLVKDONJSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-thiophen-2-ylethyl)cyclopropanesulfonamide
CID 45497316
2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)oxolan-3-amine
CID 115751420
[1-(oxan-4-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211809
2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid
CID 62675881
(2R)-2-(hydroxymethyl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 95967500
2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 115689591
3-ethyl-N-(2-methyl-3-thiophen-2-ylpropyl)morpholine-4-carboxamide
CID 71867990
(3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide
CID 95967466
1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide
CID 71997362
(2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 124591408
3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119804174
N-[2-[[N'-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111673542

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide?
The IUPAC name of N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide (CID 97217900) is N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide is C[C@@H](CNS(=O)(=O)C1CCOCC1)Cc1cccs1.
What is the InChIKey of N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide?
The InChIKey is MZYDVJJYXPQGNR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO3S2/c1-11(9-12-3-2-8-18-12)10-14-19(15,16)13-4-6-17-7-5-13/h2-3,8,11,13-14H,4-7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide?
N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]oxane-4-sulfonamide is sourced from PubChem (CID 97217900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).