N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide

C13H19N3O4S — CID 110253727

IUPACN,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide
SMILESCN(C)C(=O)C1(C)CN(S(=O)(=O)c2cccnc2)CCO1
InChIInChI=1S/C13H19N3O4S/c1-13(12(17)15(2)3)10-16(7-8-20-13)21(18,19)11-5-4-6-14-9-11/h4-6,9H,7-8,10H2,1-3H3
InChIKeyRDFSAAXBLCXDJZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.05
Rot. Bonds3

About N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide

N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide (PubChem CID 110253727) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide
PubChem CID110253727
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide
SMILESCN(C)C(=O)C1(C)CN(S(=O)(=O)c2cccnc2)CCO1
InChIInChI=1S/C13H19N3O4S/c1-13(12(17)15(2)3)10-16(7-8-20-13)21(18,19)11-5-4-6-14-9-11/h4-6,9H,7-8,10H2,1-3H3
InChIKeyRDFSAAXBLCXDJZ-UHFFFAOYSA-N
XLogP-0.05
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
CID 110094614
N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide
CID 95815582
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide
CID 118739873
(2-methyl-1,3-thiazol-4-yl)-(4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)methanone
CID 172884491
(2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide
CID 124940760
(2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide
CID 95839416
2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine
CID 47429920
2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124948384
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596
(2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide
CID 95839418

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide?
The IUPAC name of N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide (CID 110253727) is N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide?
The canonical SMILES for N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide is CN(C)C(=O)C1(C)CN(S(=O)(=O)c2cccnc2)CCO1.
What is the InChIKey of N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide?
The InChIKey is RDFSAAXBLCXDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-13(12(17)15(2)3)10-16(7-8-20-13)21(18,19)11-5-4-6-14-9-11/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide?
N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide is sourced from PubChem (CID 110253727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).