2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide

C13H23N3O2S2 — CID 63946412

IUPAC2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2sc(N)nc2C)CC1
InChIInChI=1S/C13H23N3O2S2/c1-3-10-4-6-11(7-5-10)8-15-20(17,18)12-9(2)16-13(14)19-12/h10-11,15H,3-8H2,1-2H3,(H2,14,16)
InChIKeyCQIHUGKSPRPNBN-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.53
Rot. Bonds5

About 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide

2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 63946412) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID63946412
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2sc(N)nc2C)CC1
InChIInChI=1S/C13H23N3O2S2/c1-3-10-4-6-11(7-5-10)8-15-20(17,18)12-9(2)16-13(14)19-12/h10-11,15H,3-8H2,1-2H3,(H2,14,16)
InChIKeyCQIHUGKSPRPNBN-UHFFFAOYSA-N
XLogP2.53
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 63946412) is 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide is CCC1CCC(CNS(=O)(=O)c2sc(N)nc2C)CC1.
What is the InChIKey of 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is CQIHUGKSPRPNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-3-10-4-6-11(7-5-10)8-15-20(17,18)12-9(2)16-13(14)19-12/h10-11,15H,3-8H2,1-2H3,(H2,14,16).
What are the key properties of 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63946412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).