3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine

C16H25NO2S — CID 64904901

IUPAC3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2S/c1-11-14(17)9-10-15(11)20(18,19)13-7-5-12(6-8-13)16(2,3)4/h5-8,11,14-15H,9-10,17H2,1-4H3
InChIKeyNRZANUDKNZKCAJ-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.88
Rot. Bonds2

About 3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine

3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine (PubChem CID 64904901) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine
PubChem CID64904901
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2S/c1-11-14(17)9-10-15(11)20(18,19)13-7-5-12(6-8-13)16(2,3)4/h5-8,11,14-15H,9-10,17H2,1-4H3
InChIKeyNRZANUDKNZKCAJ-UHFFFAOYSA-N
XLogP2.88
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine (CID 64904901) is 3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine is CC1C(N)CCC1S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine?
The InChIKey is NRZANUDKNZKCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-11-14(17)9-10-15(11)20(18,19)13-7-5-12(6-8-13)16(2,3)4/h5-8,11,14-15H,9-10,17H2,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine?
3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)sulfonyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64904901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).