3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide

C12H22N4O3S2 — CID 103362995

IUPAC3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide
SMILESCN(CC1CCCOC1)c1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C12H22N4O3S2/c1-15(2)21(17,18)10-11(13)14-20-12(10)16(3)7-9-5-4-6-19-8-9/h9H,4-8H2,1-3H3,(H2,13,14)
InChIKeyALAYQFNZBMMVIL-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.84
Rot. Bonds5

About 3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide

3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide (PubChem CID 103362995) has the molecular formula C12H22N4O3S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide
PubChem CID103362995
Molecular FormulaC12H22N4O3S2
Molecular Weight334.47 g/mol
Exact Mass334.11
IUPAC Name3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide
SMILESCN(CC1CCCOC1)c1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C12H22N4O3S2/c1-15(2)21(17,18)10-11(13)14-20-12(10)16(3)7-9-5-4-6-19-8-9/h9H,4-8H2,1-3H3,(H2,13,14)
InChIKeyALAYQFNZBMMVIL-UHFFFAOYSA-N
XLogP0.84
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N,N-dimethyl-5-[methyl(oxolan-2-ylmethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103361342
3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide
CID 103362628
N,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133320854
5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103363007
3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359254
3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103364216
3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol
CID 103363278
4-bromo-1-N-methyl-1-N-(oxan-3-ylmethyl)benzene-1,2-diamine
CID 63726450
6-amino-N,2,3-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63727637
4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359238
2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984160
N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride
CID 63726478

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide (CID 103362995) is 3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide is CN(CC1CCCOC1)c1snc(N)c1S(=O)(=O)N(C)C.
What is the InChIKey of 3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide?
The InChIKey is ALAYQFNZBMMVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S2/c1-15(2)21(17,18)10-11(13)14-20-12(10)16(3)7-9-5-4-6-19-8-9/h9H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide?
3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide has a molecular weight of 334.47 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103362995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).