N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide

C11H20N4O2S2 — CID 64556904

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide
SMILESCC(N)c1csc(NS(=O)(=O)N2CCCCCC2)n1
InChIInChI=1S/C11H20N4O2S2/c1-9(12)10-8-18-11(13-10)14-19(16,17)15-6-4-2-3-5-7-15/h8-9H,2-7,12H2,1H3,(H,13,14)
InChIKeyBMOFCHPIFAPXPJ-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.70
Rot. Bonds4

About N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide (PubChem CID 64556904) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide
PubChem CID64556904
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide
SMILESCC(N)c1csc(NS(=O)(=O)N2CCCCCC2)n1
InChIInChI=1S/C11H20N4O2S2/c1-9(12)10-8-18-11(13-10)14-19(16,17)15-6-4-2-3-5-7-15/h8-9H,2-7,12H2,1H3,(H,13,14)
InChIKeyBMOFCHPIFAPXPJ-UHFFFAOYSA-N
XLogP1.70
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]piperidine-1-sulfonamide
CID 64558487
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-sulfonamide
CID 64556893
methyl 2-[2-(azepan-1-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624502
[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
CID 64557109
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577359
1-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859714
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 64558490
3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480691
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-sulfonamide
CID 47240186
1-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115088531
4-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
CID 114133506
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361317

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide (CID 64556904) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide is CC(N)c1csc(NS(=O)(=O)N2CCCCCC2)n1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide?
The InChIKey is BMOFCHPIFAPXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-9(12)10-8-18-11(13-10)14-19(16,17)15-6-4-2-3-5-7-15/h8-9H,2-7,12H2,1H3,(H,13,14).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]azepane-1-sulfonamide is sourced from PubChem (CID 64556904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).