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

C14H21N3O2S2 — CID 63944408

IUPACN-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H21N3O2S2/c1-8-12(20-13(15)16-8)21(18,19)17-14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11,17H,2-7H2,1H3,(H2,15,16)
InChIKeyAXRAVRISBXHSFS-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.28
Rot. Bonds3

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

N-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 63944408) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID63944408
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC NameN-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H21N3O2S2/c1-8-12(20-13(15)16-8)21(18,19)17-14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11,17H,2-7H2,1H3,(H2,15,16)
InChIKeyAXRAVRISBXHSFS-UHFFFAOYSA-N
XLogP2.28
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide (CID 63944408) is N-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is AXRAVRISBXHSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-8-12(20-13(15)16-8)21(18,19)17-14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11,17H,2-7H2,1H3,(H2,15,16).
What are the key properties of N-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide?
N-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 327.48 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63944408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).