1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol

C11H19N3O3S2 — CID 107405200

IUPAC1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol
SMILESCc1nc(N)sc1S(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H19N3O3S2/c1-8-9(18-10(12)13-8)19(16,17)14-6-3-4-11(2,15)5-7-14/h15H,3-7H2,1-2H3,(H2,12,13)
InChIKeyDMVDTAYRUWESFM-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.96
Rot. Bonds2

About 1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol

1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol (PubChem CID 107405200) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol
PubChem CID107405200
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol
SMILESCc1nc(N)sc1S(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H19N3O3S2/c1-8-9(18-10(12)13-8)19(16,17)14-6-3-4-11(2,15)5-7-14/h15H,3-7H2,1-2H3,(H2,12,13)
InChIKeyDMVDTAYRUWESFM-UHFFFAOYSA-N
XLogP0.96
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine
CID 107393489
4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine
CID 63946602
4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-1,3-thiazol-2-amine
CID 63947423
5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine
CID 63945987
4-hydroxy-4-methylazepane-1-sulfonamide
CID 107406904
1-(2-amino-3,6-dimethylphenyl)sulfonyl-4-methylazepan-4-ol
CID 107403545
2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole
CID 127408516
5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
CID 106587611
4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol
CID 107407041
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
1-(3-amino-5-fluoro-4-methylphenyl)sulfonyl-4-methylazepan-4-ol
CID 107403556
1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol
CID 81096834

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol?
The IUPAC name of 1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol (CID 107405200) is 1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol is Cc1nc(N)sc1S(=O)(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of 1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol?
The InChIKey is DMVDTAYRUWESFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-8-9(18-10(12)13-8)19(16,17)14-6-3-4-11(2,15)5-7-14/h15H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol?
1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol has a molecular weight of 305.43 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-methylazepan-4-ol is sourced from PubChem (CID 107405200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).