N-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C11H19N3O3S2 — CID 43598149

IUPACN-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C11H19N3O3S2/c1-8-9(18-10(15)14-8)19(16,17)13-7-11(12)5-3-2-4-6-11/h13H,2-7,12H2,1H3,(H,14,15)
InChIKeyGFOPQBRXCOBBEB-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.68
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 43598149) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID43598149
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC NameN-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C11H19N3O3S2/c1-8-9(18-10(15)14-8)19(16,17)13-7-11(12)5-3-2-4-6-11/h13H,2-7,12H2,1H3,(H,14,15)
InChIKeyGFOPQBRXCOBBEB-UHFFFAOYSA-N
XLogP0.68
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 43598149) is N-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCC1(N)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is GFOPQBRXCOBBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-8-9(18-10(15)14-8)19(16,17)13-7-11(12)5-3-2-4-6-11/h13H,2-7,12H2,1H3,(H,14,15).
What are the key properties of N-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 305.43 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43598149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).