N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C11H20N2O2S2 — CID 82423466

IUPACN-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(CS(=O)(=O)CCC)s1
InChIInChI=1S/C11H20N2O2S2/c1-3-5-12-7-10-8-13-11(16-10)9-17(14,15)6-4-2/h8,12H,3-7,9H2,1-2H3
InChIKeyWWQRESZMQIOXHQ-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.97
Rot. Bonds8

About N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 82423466) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID82423466
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(CS(=O)(=O)CCC)s1
InChIInChI=1S/C11H20N2O2S2/c1-3-5-12-7-10-8-13-11(16-10)9-17(14,15)6-4-2/h8,12H,3-7,9H2,1-2H3
InChIKeyWWQRESZMQIOXHQ-UHFFFAOYSA-N
XLogP1.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.97
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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Related Compounds

2-methoxy-N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82423472
N-methyl-1-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82191047
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
2-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82423477
2-[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82423476
N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424873
2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82423390
N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 79858515
N-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424672
N-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62329930
N-[[2-[(4-bromophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61283101
N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65140276

Frequently Asked Questions

What is the IUPAC name of N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 82423466) is N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(CS(=O)(=O)CCC)s1.
What is the InChIKey of N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is WWQRESZMQIOXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-3-5-12-7-10-8-13-11(16-10)9-17(14,15)6-4-2/h8,12H,3-7,9H2,1-2H3.
What are the key properties of N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 82423466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).