(3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide

C14H23N5O4S — CID 95108130

IUPAC(3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@H](Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C14H23N5O4S/c1-17(2)24(20,21)19-4-3-12(10-19)23-14-9-13(15-11-16-14)18-5-7-22-8-6-18/h9,11-12H,3-8,10H2,1-2H3/t12-/m0/s1
InChIKeyDKNXYDYMWRETSE-LBPRGKRZSA-N
MW357.44 g/mol
LogP-0.43
Rot. Bonds5

About (3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide

(3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide (PubChem CID 95108130) has the molecular formula C14H23N5O4S and a molecular weight of 357.44 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide
PubChem CID95108130
Molecular FormulaC14H23N5O4S
Molecular Weight357.44 g/mol
Exact Mass357.15
IUPAC Name(3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@H](Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C14H23N5O4S/c1-17(2)24(20,21)19-4-3-12(10-19)23-14-9-13(15-11-16-14)18-5-7-22-8-6-18/h9,11-12H,3-8,10H2,1-2H3/t12-/m0/s1
InChIKeyDKNXYDYMWRETSE-LBPRGKRZSA-N
XLogP-0.43
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide
CID 91625468
[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95108110
furan-2-yl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185889
N,N-dimethyl-3-quinolin-2-yloxypyrrolidine-1-sulfonamide
CID 91815890
N,N-dimethyl-1-[1-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperidin-3-yl]methanamine
CID 146145500
(3R)-3-(3-amino-5-fluorophenoxy)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 58598223
4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
CID 90245774
4-[[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine
CID 126858195
5-[4-[6-(oxan-4-yloxy)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridin-2-one
CID 166307152
N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
CID 53185867
N,N-dimethyl-4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-sulfonamide
CID 50947311
N,N-dimethyl-4-quinoxalin-2-yloxypiperidine-1-sulfonamide
CID 90560109

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide?
The IUPAC name of (3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide (CID 95108130) is (3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CC[C@H](Oc2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of (3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide?
The InChIKey is DKNXYDYMWRETSE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N5O4S/c1-17(2)24(20,21)19-4-3-12(10-19)23-14-9-13(15-11-16-14)18-5-7-22-8-6-18/h9,11-12H,3-8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide?
(3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide has a molecular weight of 357.44 g/mol, XLogP of -0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-sulfonamide is sourced from PubChem (CID 95108130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).