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

C10H17N3O3S2 — CID 63946820

IUPAC2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCC1CCCCO1
InChIInChI=1S/C10H17N3O3S2/c1-7-9(17-10(11)13-7)18(14,15)12-6-8-4-2-3-5-16-8/h8,12H,2-6H2,1H3,(H2,11,13)
InChIKeyDASWFNPZWGDKCI-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.88
Rot. Bonds4

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

2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 63946820) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
PubChem CID63946820
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCC1CCCCO1
InChIInChI=1S/C10H17N3O3S2/c1-7-9(17-10(11)13-7)18(14,15)12-6-8-4-2-3-5-16-8/h8,12H,2-6H2,1H3,(H2,11,13)
InChIKeyDASWFNPZWGDKCI-UHFFFAOYSA-N
XLogP0.88
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63945815
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946412
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63946600
4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014134
2-amino-4-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 63945785
2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide
CID 63945601
3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
CID 55014323
2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682485
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 79878440
4-(2-methyl-1,3-oxazol-4-yl)-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 56805930

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide (CID 63946820) is 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCC1CCCCO1.
What is the InChIKey of 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is DASWFNPZWGDKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-7-9(17-10(11)13-7)18(14,15)12-6-8-4-2-3-5-16-8/h8,12H,2-6H2,1H3,(H2,11,13).
What are the key properties of 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 291.40 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63946820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).