2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide

C14H24N4O2S3 — CID 133302465

IUPAC2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC2(N3CCSCC3)CCCCC2)s1
InChIInChI=1S/C14H24N4O2S3/c15-23(19,20)12-10-16-13(22-12)17-11-14(4-2-1-3-5-14)18-6-8-21-9-7-18/h10H,1-9,11H2,(H,16,17)(H2,15,19,20)
InChIKeyNHHXDIFHTCJGEV-UHFFFAOYSA-N
MW376.57 g/mol
LogP1.95
Rot. Bonds5

About 2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide

2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 133302465) has the molecular formula C14H24N4O2S3 and a molecular weight of 376.57 g/mol. Its IUPAC name is 2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide
PubChem CID133302465
Molecular FormulaC14H24N4O2S3
Molecular Weight376.57 g/mol
Exact Mass376.11
IUPAC Name2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC2(N3CCSCC3)CCCCC2)s1
InChIInChI=1S/C14H24N4O2S3/c15-23(19,20)12-10-16-13(22-12)17-11-14(4-2-1-3-5-14)18-6-8-21-9-7-18/h10H,1-9,11H2,(H,16,17)(H2,15,19,20)
InChIKeyNHHXDIFHTCJGEV-UHFFFAOYSA-N
XLogP1.95
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide (CID 133302465) is 2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(NCC2(N3CCSCC3)CCCCC2)s1.
What is the InChIKey of 2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is NHHXDIFHTCJGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S3/c15-23(19,20)12-10-16-13(22-12)17-11-14(4-2-1-3-5-14)18-6-8-21-9-7-18/h10H,1-9,11H2,(H,16,17)(H2,15,19,20).
What are the key properties of 2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide?
2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 376.57 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133302465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).