N-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride

C9H17ClN2O2S2 — CID 67194364

IUPACN-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride
SMILESCCNCCCc1cnc(S(C)(=O)=O)s1.Cl
InChIInChI=1S/C9H16N2O2S2.ClH/c1-3-10-6-4-5-8-7-11-9(14-8)15(2,12)13;/h7,10H,3-6H2,1-2H3;1H
InChIKeyYBDDOCOGCMFLFV-UHFFFAOYSA-N
MW284.83 g/mol
LogP1.51
Rot. Bonds6

About N-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride

N-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride (PubChem CID 67194364) has the molecular formula C9H17ClN2O2S2 and a molecular weight of 284.83 g/mol. Its IUPAC name is N-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride
PubChem CID67194364
Molecular FormulaC9H17ClN2O2S2
Molecular Weight284.83 g/mol
Exact Mass284.04
IUPAC NameN-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride
SMILESCCNCCCc1cnc(S(C)(=O)=O)s1.Cl
InChIInChI=1S/C9H16N2O2S2.ClH/c1-3-10-6-4-5-8-7-11-9(14-8)15(2,12)13;/h7,10H,3-6H2,1-2H3;1H
InChIKeyYBDDOCOGCMFLFV-UHFFFAOYSA-N
XLogP1.51
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride?
The IUPAC name of N-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride (CID 67194364) is N-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for N-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride?
The canonical SMILES for N-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride is CCNCCCc1cnc(S(C)(=O)=O)s1.Cl.
What is the InChIKey of N-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride?
The InChIKey is YBDDOCOGCMFLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2.ClH/c1-3-10-6-4-5-8-7-11-9(14-8)15(2,12)13;/h7,10H,3-6H2,1-2H3;1H.
What are the key properties of N-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride?
N-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylsulfonyl-1,3-thiazol-5-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 67194364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).