(2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide

C13H25N3O3S2 — CID 95177282

IUPAC(2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC[C@H]1C(=O)N1CCSCC1
InChIInChI=1S/C13H25N3O3S2/c1-3-15(4-2)21(18,19)16-7-5-6-12(16)13(17)14-8-10-20-11-9-14/h12H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyDWAKJFMGVNDGRG-LBPRGKRZSA-N
MW335.50 g/mol
LogP0.61
Rot. Bonds5

About (2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide

(2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide (PubChem CID 95177282) has the molecular formula C13H25N3O3S2 and a molecular weight of 335.50 g/mol. Its IUPAC name is (2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide
PubChem CID95177282
Molecular FormulaC13H25N3O3S2
Molecular Weight335.50 g/mol
Exact Mass335.13
IUPAC Name(2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC[C@H]1C(=O)N1CCSCC1
InChIInChI=1S/C13H25N3O3S2/c1-3-15(4-2)21(18,19)16-7-5-6-12(16)13(17)14-8-10-20-11-9-14/h12H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyDWAKJFMGVNDGRG-LBPRGKRZSA-N
XLogP0.61
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-1-(diethylsulfamoyl)pyrrolidine-2-carboxamide
CID 35611405
tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate
CID 81005114
[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 95177278
[1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 128570491
(2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95274519
(2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 122069672
3,3,3-trifluoro-1-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 97005212
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonyl-ethylamino]propanoic acid
CID 61009034
1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857926
1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60858940
(3S)-N,N-diethyl-3-hydroxypiperidine-1-sulfonamide
CID 107225076
2-amino-N,N-diethylazepane-1-sulfonamide
CID 64560720

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide?
The IUPAC name of (2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide (CID 95177282) is (2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for (2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC[C@H]1C(=O)N1CCSCC1.
What is the InChIKey of (2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide?
The InChIKey is DWAKJFMGVNDGRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25N3O3S2/c1-3-15(4-2)21(18,19)16-7-5-6-12(16)13(17)14-8-10-20-11-9-14/h12H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide?
(2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide has a molecular weight of 335.50 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 95177282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).