N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide

C8H14N2O2S2 — CID 49460028

IUPACN-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1nccs1
InChIInChI=1S/C8H14N2O2S2/c1-2-7-14(11,12)10-4-3-8-9-5-6-13-8/h5-6,10H,2-4,7H2,1H3
InChIKeyLZJDNBZTPKQKJS-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.01
Rot. Bonds6

About N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide

N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide (PubChem CID 49460028) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
PubChem CID49460028
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC NameN-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1nccs1
InChIInChI=1S/C8H14N2O2S2/c1-2-7-14(11,12)10-4-3-8-9-5-6-13-8/h5-6,10H,2-4,7H2,1H3
InChIKeyLZJDNBZTPKQKJS-UHFFFAOYSA-N
XLogP1.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thiazolylethylamine
CID 87653
(5-Propylsulfonyl-1,3-thiazol-2-yl)methanamine
CID 155532323
2-(1,3-Thiazol-2-yl)ethan-1-amine dihydrochloride
CID 45480390
Methyl[2-(1,3-thiazol-2-yl)ethyl]amine
CID 10012009
3-(1,3-Thiazol-2-yl)propan-1-amine
CID 11686921
2-(1,3-Thiazol-2-yl)propan-1-amine
CID 24261996
2-(1,3-Thiazol-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 44120524
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 72120337
Methyl[2-(1,3-thiazol-2-yl)propyl]amine
CID 64989109
2-(1,3-Thiazol-2-yl)ethanethioamide
CID 21937121
N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
CID 71986830
N-[2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]ethanesulfonamide
CID 72114792

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide (CID 49460028) is N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide?
The InChIKey is LZJDNBZTPKQKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-2-7-14(11,12)10-4-3-8-9-5-6-13-8/h5-6,10H,2-4,7H2,1H3.
What are the key properties of N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide?
N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide has a molecular weight of 234.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 49460028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).