2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride

C11H24ClN3O3S — CID 120720986

IUPAC2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride
SMILESCC1CN(S(=O)(=O)NCC2CCNC2)CC(C)O1.Cl
InChIInChI=1S/C11H23N3O3S.ClH/c1-9-7-14(8-10(2)17-9)18(15,16)13-6-11-3-4-12-5-11;/h9-13H,3-8H2,1-2H3;1H
InChIKeyHBZZDAQJONRRMT-UHFFFAOYSA-N
MW313.85 g/mol
LogP-0.04
Rot. Bonds4

About 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride

2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride (PubChem CID 120720986) has the molecular formula C11H24ClN3O3S and a molecular weight of 313.85 g/mol. Its IUPAC name is 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride
PubChem CID120720986
Molecular FormulaC11H24ClN3O3S
Molecular Weight313.85 g/mol
Exact Mass313.12
IUPAC Name2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride
SMILESCC1CN(S(=O)(=O)NCC2CCNC2)CC(C)O1.Cl
InChIInChI=1S/C11H23N3O3S.ClH/c1-9-7-14(8-10(2)17-9)18(15,16)13-6-11-3-4-12-5-11;/h9-13H,3-8H2,1-2H3;1H
InChIKeyHBZZDAQJONRRMT-UHFFFAOYSA-N
XLogP-0.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine
CID 54973979
(2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine
CID 104961415
N,2,6-trimethylmorpholine-4-sulfonamide
CID 43242358
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120724059
N-(2-aminoethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43603513
2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride
CID 119969720
2,6-dimethyl-4-piperidin-3-ylsulfonylmorpholine
CID 24700642
(2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 95280186
(2R,6R)-N,2,6-trimethyl-N-[(3S)-pyrrolidin-3-yl]morpholine-4-sulfonamide
CID 124777060
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 120896083

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride?
The IUPAC name of 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride (CID 120720986) is 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride?
The canonical SMILES for 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride is CC1CN(S(=O)(=O)NCC2CCNC2)CC(C)O1.Cl.
What is the InChIKey of 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride?
The InChIKey is HBZZDAQJONRRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S.ClH/c1-9-7-14(8-10(2)17-9)18(15,16)13-6-11-3-4-12-5-11;/h9-13H,3-8H2,1-2H3;1H.
What are the key properties of 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride?
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride has a molecular weight of 313.85 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120720986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).