N-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine

C13H22N2O2S2 — CID 82193873

IUPACN-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(CS(=O)(=O)C2CCCCC2)n1
InChIInChI=1S/C13H22N2O2S2/c1-2-14-8-11-9-18-13(15-11)10-19(16,17)12-6-4-3-5-7-12/h9,12,14H,2-8,10H2,1H3
InChIKeyJQVKVNBRCVPCCP-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.50
Rot. Bonds6

About N-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine

N-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 82193873) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID82193873
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC NameN-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(CS(=O)(=O)C2CCCCC2)n1
InChIInChI=1S/C13H22N2O2S2/c1-2-14-8-11-9-18-13(15-11)10-19(16,17)12-6-4-3-5-7-12/h9,12,14H,2-8,10H2,1H3
InChIKeyJQVKVNBRCVPCCP-UHFFFAOYSA-N
XLogP2.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid
CID 63114532
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
(1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine
CID 99580177
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 65132309
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 114147837
1-[2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 82426488
4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62426744
2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 115665483
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79980351
N-[[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 61281443

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 82193873) is N-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(CS(=O)(=O)C2CCCCC2)n1.
What is the InChIKey of N-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is JQVKVNBRCVPCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-2-14-8-11-9-18-13(15-11)10-19(16,17)12-6-4-3-5-7-12/h9,12,14H,2-8,10H2,1H3.
What are the key properties of N-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 302.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 82193873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).