4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide

C12H20N4O2S2 — CID 106053320

IUPAC4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)Nc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C12H20N4O2S2/c13-8-9-4-6-16(7-5-9)20(17,18)15-12-14-10-2-1-3-11(10)19-12/h9H,1-8,13H2,(H,14,15)
InChIKeyTYLRZAFPCIHKCG-UHFFFAOYSA-N
MW316.45 g/mol
LogP0.96
Rot. Bonds4

About 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide (PubChem CID 106053320) has the molecular formula C12H20N4O2S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide
PubChem CID106053320
Molecular FormulaC12H20N4O2S2
Molecular Weight316.45 g/mol
Exact Mass316.10
IUPAC Name4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)Nc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C12H20N4O2S2/c13-8-9-4-6-16(7-5-9)20(17,18)15-12-14-10-2-1-3-11(10)19-12/h9H,1-8,13H2,(H,14,15)
InChIKeyTYLRZAFPCIHKCG-UHFFFAOYSA-N
XLogP0.96
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106082713
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide
CID 43593464
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)piperidine-1-sulfonamide
CID 106086848
4-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 106069875
1-(3-aminopropyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrazole-4-sulfonamide
CID 106053393
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)methanesulfonamide
CID 165441927
2-(4-aminopiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 79328104
5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide
CID 106053348
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 106053324
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 106053177
4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide
CID 106087973
4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide
CID 106088800

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide (CID 106053320) is 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide is NCC1CCN(S(=O)(=O)Nc2nc3c(s2)CCC3)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide?
The InChIKey is TYLRZAFPCIHKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S2/c13-8-9-4-6-16(7-5-9)20(17,18)15-12-14-10-2-1-3-11(10)19-12/h9H,1-8,13H2,(H,14,15).
What are the key properties of 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide has a molecular weight of 316.45 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106053320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).