(5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride

C10H17ClN2O2S2 — CID 130345224

IUPAC(5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1ncc(S(=O)(=O)C2CCCCC2)s1
InChIInChI=1S/C10H16N2O2S2.ClH/c11-6-9-12-7-10(15-9)16(13,14)8-4-2-1-3-5-8;/h7-8H,1-6,11H2;1H
InChIKeyYMYDDSCFAHJCDF-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.13
Rot. Bonds3

About (5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride

(5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride (PubChem CID 130345224) has the molecular formula C10H17ClN2O2S2 and a molecular weight of 296.85 g/mol. Its IUPAC name is (5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride
PubChem CID130345224
Molecular FormulaC10H17ClN2O2S2
Molecular Weight296.85 g/mol
Exact Mass296.04
IUPAC Name(5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1ncc(S(=O)(=O)C2CCCCC2)s1
InChIInChI=1S/C10H16N2O2S2.ClH/c11-6-9-12-7-10(15-9)16(13,14)8-4-2-1-3-5-8;/h7-8H,1-6,11H2;1H
InChIKeyYMYDDSCFAHJCDF-UHFFFAOYSA-N
XLogP2.13
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride (CID 130345224) is (5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride is Cl.NCc1ncc(S(=O)(=O)C2CCCCC2)s1.
What is the InChIKey of (5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride?
The InChIKey is YMYDDSCFAHJCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2.ClH/c11-6-9-12-7-10(15-9)16(13,14)8-4-2-1-3-5-8;/h7-8H,1-6,11H2;1H.
What are the key properties of (5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride?
(5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride has a molecular weight of 296.85 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 130345224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).