1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine

C13H16N2O3S — CID 81433807

IUPAC1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine
SMILESCS(=O)(=O)c1ccc2oc(C3(N)CCCC3)nc2c1
InChIInChI=1S/C13H16N2O3S/c1-19(16,17)9-4-5-11-10(8-9)15-12(18-11)13(14)6-2-3-7-13/h4-5,8H,2-3,6-7,14H2,1H3
InChIKeyXRPDKUIVDQTSHV-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.96
Rot. Bonds2

About 1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine

1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine (PubChem CID 81433807) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine
PubChem CID81433807
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine
SMILESCS(=O)(=O)c1ccc2oc(C3(N)CCCC3)nc2c1
InChIInChI=1S/C13H16N2O3S/c1-19(16,17)9-4-5-11-10(8-9)15-12(18-11)13(14)6-2-3-7-13/h4-5,8H,2-3,6-7,14H2,1H3
InChIKeyXRPDKUIVDQTSHV-UHFFFAOYSA-N
XLogP1.96
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzoxazol-2-ylmethylamino)-6-methyl-5-methylsulfanyl-1H-pyridin-2-one
CID 454432
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethylsulfanyl-6-methyl-1H-pyridin-2-one
CID 454433
N-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide
CID 2339850
3-[5-[[2-(3-Aminophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazol-2-yl]aniline
CID 3135656
3-(1,3-benzoxazol-2-ylmethylamino)-6-methyl-5-methylsulfonyl-1H-pyridin-2-one
CID 454435
2-(1,3-benzoxazol-2-ylthio)-N-[3-(methylthio)phenyl]acetamide
CID 708756
Ethyl 2-(5-{[(2-methoxyphenyl)amino]sulfonyl}benzoxazol-2-ylthio)acetate
CID 2338636
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 2339835
2-[(5-Ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 2352953
N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 2377746
2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 2383742
2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 2560785

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
The IUPAC name of 1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine (CID 81433807) is 1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine is CS(=O)(=O)c1ccc2oc(C3(N)CCCC3)nc2c1.
What is the InChIKey of 1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
The InChIKey is XRPDKUIVDQTSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-19(16,17)9-4-5-11-10(8-9)15-12(18-11)13(14)6-2-3-7-13/h4-5,8H,2-3,6-7,14H2,1H3.
What are the key properties of 1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine?
1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine has a molecular weight of 280.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 81433807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).