2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide

C9H16N4O3S2 — CID 133280999

IUPAC2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESCN1CCOC(CNc2ncc(S(N)(=O)=O)s2)C1
InChIInChI=1S/C9H16N4O3S2/c1-13-2-3-16-7(6-13)4-11-9-12-5-8(17-9)18(10,14)15/h5,7H,2-4,6H2,1H3,(H,11,12)(H2,10,14,15)
InChIKeyXIMWZZZPDAAONX-UHFFFAOYSA-N
MW292.39 g/mol
LogP-0.47
Rot. Bonds4

About 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide

2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 133280999) has the molecular formula C9H16N4O3S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide
PubChem CID133280999
Molecular FormulaC9H16N4O3S2
Molecular Weight292.39 g/mol
Exact Mass292.07
IUPAC Name2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESCN1CCOC(CNc2ncc(S(N)(=O)=O)s2)C1
InChIInChI=1S/C9H16N4O3S2/c1-13-2-3-16-7(6-13)4-11-9-12-5-8(17-9)18(10,14)15/h5,7H,2-4,6H2,1H3,(H,11,12)(H2,10,14,15)
InChIKeyXIMWZZZPDAAONX-UHFFFAOYSA-N
XLogP-0.47
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490999
5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 79070897
6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
CID 79071689
4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide
CID 106070574
5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 79072334
ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80576501
methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 78952494
2-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2,3-diamine
CID 79082098
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 81245074
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124873009
6-hydrazinyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine
CID 80922854

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide (CID 133280999) is 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide is CN1CCOC(CNc2ncc(S(N)(=O)=O)s2)C1.
What is the InChIKey of 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is XIMWZZZPDAAONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S2/c1-13-2-3-16-7(6-13)4-11-9-12-5-8(17-9)18(10,14)15/h5,7H,2-4,6H2,1H3,(H,11,12)(H2,10,14,15).
What are the key properties of 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide?
2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 292.39 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133280999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).