(2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide

C14H21N3O4S — CID 100743992

IUPAC(2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide
SMILESCc1ccc([C@@H]2CN(S(=O)(=O)N(C)[C@H](C)CC#N)CCO2)o1
InChIInChI=1S/C14H21N3O4S/c1-11(6-7-15)16(3)22(18,19)17-8-9-20-14(10-17)13-5-4-12(2)21-13/h4-5,11,14H,6,8-10H2,1-3H3/t11-,14+/m1/s1
InChIKeyQOTSLQLVILTRPI-RISCZKNCSA-N
MW327.41 g/mol
LogP1.44
Rot. Bonds5

About (2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide

(2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide (PubChem CID 100743992) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide
PubChem CID100743992
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name(2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide
SMILESCc1ccc([C@@H]2CN(S(=O)(=O)N(C)[C@H](C)CC#N)CCO2)o1
InChIInChI=1S/C14H21N3O4S/c1-11(6-7-15)16(3)22(18,19)17-8-9-20-14(10-17)13-5-4-12(2)21-13/h4-5,11,14H,6,8-10H2,1-3H3/t11-,14+/m1/s1
InChIKeyQOTSLQLVILTRPI-RISCZKNCSA-N
XLogP1.44
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide?
The IUPAC name of (2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide (CID 100743992) is (2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide.
What is the SMILES notation for (2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide?
The canonical SMILES for (2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide is Cc1ccc([C@@H]2CN(S(=O)(=O)N(C)[C@H](C)CC#N)CCO2)o1.
What is the InChIKey of (2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide?
The InChIKey is QOTSLQLVILTRPI-RISCZKNCSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-11(6-7-15)16(3)22(18,19)17-8-9-20-14(10-17)13-5-4-12(2)21-13/h4-5,11,14H,6,8-10H2,1-3H3/t11-,14+/m1/s1.
What are the key properties of (2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide?
(2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-cyanopropan-2-yl]-N-methyl-2-(5-methylfuran-2-yl)morpholine-4-sulfonamide is sourced from PubChem (CID 100743992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).