(2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide

C14H22N2O3S2 — CID 98775245

IUPAC(2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)N(Cc2ccsc2)C2CC2)[C@@H](C)CO1
InChIInChI=1S/C14H22N2O3S2/c1-11-9-19-12(2)7-15(11)21(17,18)16(14-3-4-14)8-13-5-6-20-10-13/h5-6,10-12,14H,3-4,7-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyLDXMZUIWOWWVJE-NWDGAFQWSA-N
MW330.48 g/mol
LogP2.07
Rot. Bonds5

About (2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide

(2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide (PubChem CID 98775245) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is (2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide
PubChem CID98775245
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name(2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)N(Cc2ccsc2)C2CC2)[C@@H](C)CO1
InChIInChI=1S/C14H22N2O3S2/c1-11-9-19-12(2)7-15(11)21(17,18)16(14-3-4-14)8-13-5-6-20-10-13/h5-6,10-12,14H,3-4,7-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyLDXMZUIWOWWVJE-NWDGAFQWSA-N
XLogP2.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5S)-N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide
CID 96514723
N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 95317371
(3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide
CID 97217858
3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 61456293
(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride
CID 94843085
6-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 62158435
N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide
CID 47082304
2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 61433464
5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61167567
2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 61433555
2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 60598427
N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 51055462

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide?
The IUPAC name of (2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide (CID 98775245) is (2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide.
What is the SMILES notation for (2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide?
The canonical SMILES for (2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide is C[C@@H]1CN(S(=O)(=O)N(Cc2ccsc2)C2CC2)[C@@H](C)CO1.
What is the InChIKey of (2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide?
The InChIKey is LDXMZUIWOWWVJE-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-11-9-19-12(2)7-15(11)21(17,18)16(14-3-4-14)8-13-5-6-20-10-13/h5-6,10-12,14H,3-4,7-9H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide?
(2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide has a molecular weight of 330.48 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 98775245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).