N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide

C20H31N3O6S2 — CID 43073491

IUPACN-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)N3CCCCC3CNS(C)(=O)=O)c2)CC(C)O1
InChIInChI=1S/C20H31N3O6S2/c1-15-13-22(14-16(2)29-15)31(27,28)19-9-6-7-17(11-19)20(24)23-10-5-4-8-18(23)12-21-30(3,25)26/h6-7,9,11,15-16,18,21H,4-5,8,10,12-14H2,1-3H3
InChIKeyAXLMKUDPANKKNJ-UHFFFAOYSA-N
MW473.62 g/mol
LogP1.03
Rot. Bonds6

About N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 43073491) has the molecular formula C20H31N3O6S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID43073491
Molecular FormulaC20H31N3O6S2
Molecular Weight473.62 g/mol
Exact Mass473.17
IUPAC NameN-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)N3CCCCC3CNS(C)(=O)=O)c2)CC(C)O1
InChIInChI=1S/C20H31N3O6S2/c1-15-13-22(14-16(2)29-15)31(27,28)19-9-6-7-17(11-19)20(24)23-10-5-4-8-18(23)12-21-30(3,25)26/h6-7,9,11,15-16,18,21H,4-5,8,10,12-14H2,1-3H3
InChIKeyAXLMKUDPANKKNJ-UHFFFAOYSA-N
XLogP1.03
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 43073290
N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073522
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722457
(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109065552
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
[2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride
CID 119469450
[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone
CID 119467046
N-[3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 47800118
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone
CID 119579187
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide (CID 43073491) is N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide is CC1CN(S(=O)(=O)c2cccc(C(=O)N3CCCCC3CNS(C)(=O)=O)c2)CC(C)O1.
What is the InChIKey of N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is AXLMKUDPANKKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O6S2/c1-15-13-22(14-16(2)29-15)31(27,28)19-9-6-7-17(11-19)20(24)23-10-5-4-8-18(23)12-21-30(3,25)26/h6-7,9,11,15-16,18,21H,4-5,8,10,12-14H2,1-3H3.
What are the key properties of N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 473.62 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 43073491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).