N-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine

C12H20N2O2S2 — CID 71859869

IUPACN-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESCS(=O)(=O)CCCNC1(c2nccs2)CCCC1
InChIInChI=1S/C12H20N2O2S2/c1-18(15,16)10-4-7-14-12(5-2-3-6-12)11-13-8-9-17-11/h8-9,14H,2-7,10H2,1H3
InChIKeyBIAXWBQISMDJBG-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.94
Rot. Bonds6

About N-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine

N-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine (PubChem CID 71859869) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
PubChem CID71859869
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESCS(=O)(=O)CCCNC1(c2nccs2)CCCC1
InChIInChI=1S/C12H20N2O2S2/c1-18(15,16)10-4-7-14-12(5-2-3-6-12)11-13-8-9-17-11/h8-9,14H,2-7,10H2,1H3
InChIKeyBIAXWBQISMDJBG-UHFFFAOYSA-N
XLogP1.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.94
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-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of N-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine (CID 71859869) is N-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for N-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for N-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine is CS(=O)(=O)CCCNC1(c2nccs2)CCCC1.
What is the InChIKey of N-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
The InChIKey is BIAXWBQISMDJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-18(15,16)10-4-7-14-12(5-2-3-6-12)11-13-8-9-17-11/h8-9,14H,2-7,10H2,1H3.
What are the key properties of N-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
N-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 71859869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).